3-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]methyl]-5-bromo-N-(cyclopentylmethyl)-N-ethylpyridin-2-amine;3-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]methyl]-N-(cyclopentylmethyl)-N-ethyl-5-pyrrol-1-ylpyridin-2-amine;ditert-butyl-(2-phenylphenyl)phosphane;1H-pyrrole

C78H92BrF12N16P — CID 159798645

About 3-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]methyl]-5-bromo-N-(cyclopentylmethyl)-N-ethylpyridin-2-amine;3-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]methyl]-N-(cyclopentylmethyl)-N-ethyl-5-pyrrol-1-ylpyridin-2-amine;ditert-butyl-(2-phenylphenyl)phosphane;1H-pyrrole

3-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]methyl]-5-bromo-N-(cyclopentylmethyl)-N-ethylpyridin-2-amine;3-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]methyl]-N-(cyclopentylmethyl)-N-ethyl-5-pyrrol-1-ylpyridin-2-amine;ditert-butyl-(2-phenylphenyl)phosphane;1H-pyrrole (PubChem CID 159798645) has the molecular formula C78H92BrF12N16P and a molecular weight of 1592.56 g/mol. Its IUPAC name is 3-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]methyl]-5-bromo-N-(cyclopentylmethyl)-N-ethylpyridin-2-amine;3-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]methyl]-N-(cyclopentylmethyl)-N-ethyl-5-pyrrol-1-ylpyridin-2-amine;ditert-butyl-(2-phenylphenyl)phosphane;1H-pyrrole.

Molecular Properties

• Compound Name: 3-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]methyl]-5-bromo-N-(cyclopentylmethyl)-N-ethylpyridin-2-amine;3-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]methyl]-N-(cyclopentylmethyl)-N-ethyl-5-pyrrol-1-ylpyridin-2-amine;ditert-butyl-(2-phenylphenyl)phosphane;1H-pyrrole
• PubChem CID: 159798645
• Molecular Formula: C78H92BrF12N16P
• Molecular Weight: 1592.56 g/mol
• Exact Mass: 1590.64
• IUPAC Name: 3-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]methyl]-5-bromo-N-(cyclopentylmethyl)-N-ethylpyridin-2-amine;3-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]methyl]-N-(cyclopentylmethyl)-N-ethyl-5-pyrrol-1-ylpyridin-2-amine;ditert-butyl-(2-phenylphenyl)phosphane;1H-pyrrole
• SMILES: CC(C)(C)P(c1ccccc1-c1ccccc1)C(C)(C)C.CCN(CC1CCCC1)c1ncc(-n2cccc2)cc1CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nnn(C)n1.CCN(CC1CCCC1)c1ncc(Br)cc1CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nnn(C)n1.c1cc[nH]c1
• InChI: InChI=1S/C29H32F6N8.C25H28BrF6N7.C20H27P.C4H5N/c1-3-41(17-20-8-4-5-9-20)26-22(14-25(16-36-26)42-10-6-7-11-42)19-43(27-37-39-40(2)38-27)18-21-12-23(28(30,31)32)15-24(13-21)29(33,34)35;1-3-38(13-16-6-4-5-7-16)22-18(10-21(26)12-33-22)15-39(23-34-36-37(2)35-23)14-17-8-19(24(27,28)29)11-20(9-17)25(30,31)32;1-19(2,3)21(20(4,5)6)18-15-11-10-14-17(18)16-12-8-7-9-13-16;1-2-4-5-3-1/h6-7,10-16,20H,3-5,8-9,17-19H2,1-2H3;8-12,16H,3-7,13-15H2,1-2H3;7-15H,1-6H3;1-5H
• InChIKey: NJMOGEGTLGMESJ-UHFFFAOYSA-N
• XLogP: 20.36
• TPSA: 146.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 15
• Rotatable Bonds: 21
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1592.56
LogP ≤ 5	20.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]methyl]-5-bromo-N-(cyclopentylmethyl)-N-ethylpyridin-2-amine;3-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]methyl]-N-(cyclopentylmethyl)-N-ethyl-5-pyrrol-1-ylpyridin-2-amine;ditert-butyl-(2-phenylphenyl)phosphane;1H-pyrrole?

The IUPAC name of 3-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]methyl]-5-bromo-N-(cyclopentylmethyl)-N-ethylpyridin-2-amine;3-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]methyl]-N-(cyclopentylmethyl)-N-ethyl-5-pyrrol-1-ylpyridin-2-amine;ditert-butyl-(2-phenylphenyl)phosphane;1H-pyrrole (CID 159798645) is 3-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]methyl]-5-bromo-N-(cyclopentylmethyl)-N-ethylpyridin-2-amine;3-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]methyl]-N-(cyclopentylmethyl)-N-ethyl-5-pyrrol-1-ylpyridin-2-amine;ditert-butyl-(2-phenylphenyl)phosphane;1H-pyrrole.

What is the SMILES notation for 3-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]methyl]-5-bromo-N-(cyclopentylmethyl)-N-ethylpyridin-2-amine;3-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]methyl]-N-(cyclopentylmethyl)-N-ethyl-5-pyrrol-1-ylpyridin-2-amine;ditert-butyl-(2-phenylphenyl)phosphane;1H-pyrrole?

The canonical SMILES for 3-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]methyl]-5-bromo-N-(cyclopentylmethyl)-N-ethylpyridin-2-amine;3-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]methyl]-N-(cyclopentylmethyl)-N-ethyl-5-pyrrol-1-ylpyridin-2-amine;ditert-butyl-(2-phenylphenyl)phosphane;1H-pyrrole is CC(C)(C)P(c1ccccc1-c1ccccc1)C(C)(C)C.CCN(CC1CCCC1)c1ncc(-n2cccc2)cc1CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nnn(C)n1.CCN(CC1CCCC1)c1ncc(Br)cc1CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nnn(C)n1.c1cc[nH]c1.

What is the InChIKey of 3-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]methyl]-5-bromo-N-(cyclopentylmethyl)-N-ethylpyridin-2-amine;3-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]methyl]-N-(cyclopentylmethyl)-N-ethyl-5-pyrrol-1-ylpyridin-2-amine;ditert-butyl-(2-phenylphenyl)phosphane;1H-pyrrole?

The InChIKey is NJMOGEGTLGMESJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32F6N8.C25H28BrF6N7.C20H27P.C4H5N/c1-3-41(17-20-8-4-5-9-20)26-22(14-25(16-36-26)42-10-6-7-11-42)19-43(27-37-39-40(2)38-27)18-21-12-23(28(30,31)32)15-24(13-21)29(33,34)35;1-3-38(13-16-6-4-5-7-16)22-18(10-21(26)12-33-22)15-39(23-34-36-37(2)35-23)14-17-8-19(24(27,28)29)11-20(9-17)25(30,31)32;1-19(2,3)21(20(4,5)6)18-15-11-10-14-17(18)16-12-8-7-9-13-16;1-2-4-5-3-1/h6-7,10-16,20H,3-5,8-9,17-19H2,1-2H3;8-12,16H,3-7,13-15H2,1-2H3;7-15H,1-6H3;1-5H.

What are the key properties of 3-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]methyl]-5-bromo-N-(cyclopentylmethyl)-N-ethylpyridin-2-amine;3-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]methyl]-N-(cyclopentylmethyl)-N-ethyl-5-pyrrol-1-ylpyridin-2-amine;ditert-butyl-(2-phenylphenyl)phosphane;1H-pyrrole?

3-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]methyl]-5-bromo-N-(cyclopentylmethyl)-N-ethylpyridin-2-amine;3-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]methyl]-N-(cyclopentylmethyl)-N-ethyl-5-pyrrol-1-ylpyridin-2-amine;ditert-butyl-(2-phenylphenyl)phosphane;1H-pyrrole has a molecular weight of 1592.56 g/mol, XLogP of 20.36, 21 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]methyl]-5-bromo-N-(cyclopentylmethyl)-N-ethylpyridin-2-amine;3-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]methyl]-N-(cyclopentylmethyl)-N-ethyl-5-pyrrol-1-ylpyridin-2-amine;ditert-butyl-(2-phenylphenyl)phosphane;1H-pyrrole is sourced from PubChem (CID 159798645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).