3-cyclopropyl-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-phenylpyrazole-5-carboxamide

C26H30N4O2 — CID 43019758

IUPAC3-cyclopropyl-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-phenylpyrazole-5-carboxamide
SMILESCOc1ccccc1C(CNC(=O)c1cc(C2CC2)nn1-c1ccccc1)N1CCCC1
InChIInChI=1S/C26H30N4O2/c1-32-25-12-6-5-11-21(25)24(29-15-7-8-16-29)18-27-26(31)23-17-22(19-13-14-19)28-30(23)20-9-3-2-4-10-20/h2-6,9-12,17,19,24H,7-8,13-16,18H2,1H3,(H,27,31)
InChIKeyQRLJICVDALYQQR-UHFFFAOYSA-N
MW430.55 g/mol
LogP4.33
Rot. Bonds8

About 3-cyclopropyl-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-phenylpyrazole-5-carboxamide

3-cyclopropyl-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-phenylpyrazole-5-carboxamide (PubChem CID 43019758) has the molecular formula C26H30N4O2 and a molecular weight of 430.55 g/mol. Its IUPAC name is 3-cyclopropyl-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-phenylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-phenylpyrazole-5-carboxamide
PubChem CID43019758
Molecular FormulaC26H30N4O2
Molecular Weight430.55 g/mol
Exact Mass430.24
IUPAC Name3-cyclopropyl-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-phenylpyrazole-5-carboxamide
SMILESCOc1ccccc1C(CNC(=O)c1cc(C2CC2)nn1-c1ccccc1)N1CCCC1
InChIInChI=1S/C26H30N4O2/c1-32-25-12-6-5-11-21(25)24(29-15-7-8-16-29)18-27-26(31)23-17-22(19-13-14-19)28-30(23)20-9-3-2-4-10-20/h2-6,9-12,17,19,24H,7-8,13-16,18H2,1H3,(H,27,31)
InChIKeyQRLJICVDALYQQR-UHFFFAOYSA-N
XLogP4.33
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyclopropyl-N-[(2-methoxyphenyl)methyl]-1-phenylpyrazole-5-carboxamide
CID 9404708
3-cyclopropyl-N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-phenylpyrazole-5-carboxamide
CID 31205411
3-(2-methoxyphenyl)-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-phenylpyrazole-4-carboxamide
CID 25479424
N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 167854067
3-(4-fluorophenyl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]imidazole-4-carboxamide
CID 42887024
3-cyclopropyl-N-[2-(diethylamino)-2-phenylethyl]-1-phenylpyrazole-5-carboxamide
CID 18207609
N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]cyclobutanecarboxamide
CID 30522180
N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1H-indazole-3-carboxamide
CID 51109530
3-cyclopropyl-N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-1-phenylpyrazole-5-carboxamide
CID 46656180
1-(4-fluorophenyl)-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 30523169
N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(tetrazol-1-yl)benzamide
CID 2472231
N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(tetrazol-1-yl)benzamide
CID 2472228

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-phenylpyrazole-5-carboxamide?
The IUPAC name of 3-cyclopropyl-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-phenylpyrazole-5-carboxamide (CID 43019758) is 3-cyclopropyl-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-phenylpyrazole-5-carboxamide.
What is the SMILES notation for 3-cyclopropyl-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-phenylpyrazole-5-carboxamide?
The canonical SMILES for 3-cyclopropyl-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-phenylpyrazole-5-carboxamide is COc1ccccc1C(CNC(=O)c1cc(C2CC2)nn1-c1ccccc1)N1CCCC1.
What is the InChIKey of 3-cyclopropyl-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-phenylpyrazole-5-carboxamide?
The InChIKey is QRLJICVDALYQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O2/c1-32-25-12-6-5-11-21(25)24(29-15-7-8-16-29)18-27-26(31)23-17-22(19-13-14-19)28-30(23)20-9-3-2-4-10-20/h2-6,9-12,17,19,24H,7-8,13-16,18H2,1H3,(H,27,31).
What are the key properties of 3-cyclopropyl-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-phenylpyrazole-5-carboxamide?
3-cyclopropyl-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-phenylpyrazole-5-carboxamide has a molecular weight of 430.55 g/mol, XLogP of 4.33, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-phenylpyrazole-5-carboxamide is sourced from PubChem (CID 43019758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).