5-(4-chlorophenyl)-4-(5-methyltetrazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydropyrazole-2-carboxamide

C19H15ClF3N7O2 — CID 11476831

IUPAC5-(4-chlorophenyl)-4-(5-methyltetrazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydropyrazole-2-carboxamide
SMILESCc1nnn(C2CN(C(=O)Nc3ccc(OC(F)(F)F)cc3)N=C2c2ccc(Cl)cc2)n1
InChIInChI=1S/C19H15ClF3N7O2/c1-11-25-28-30(26-11)16-10-29(27-17(16)12-2-4-13(20)5-3-12)18(31)24-14-6-8-15(9-7-14)32-19(21,22)23/h2-9,16H,10H2,1H3,(H,24,31)
InChIKeyFKCFSUALEYBLPA-UHFFFAOYSA-N
MW465.82 g/mol
LogP4.03
Rot. Bonds4

About 5-(4-chlorophenyl)-4-(5-methyltetrazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydropyrazole-2-carboxamide

5-(4-chlorophenyl)-4-(5-methyltetrazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydropyrazole-2-carboxamide (PubChem CID 11476831) has the molecular formula C19H15ClF3N7O2 and a molecular weight of 465.82 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-4-(5-methyltetrazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-4-(5-methyltetrazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydropyrazole-2-carboxamide
PubChem CID11476831
Molecular FormulaC19H15ClF3N7O2
Molecular Weight465.82 g/mol
Exact Mass465.09
IUPAC Name5-(4-chlorophenyl)-4-(5-methyltetrazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydropyrazole-2-carboxamide
SMILESCc1nnn(C2CN(C(=O)Nc3ccc(OC(F)(F)F)cc3)N=C2c2ccc(Cl)cc2)n1
InChIInChI=1S/C19H15ClF3N7O2/c1-11-25-28-30(26-11)16-10-29(27-17(16)12-2-4-13(20)5-3-12)18(31)24-14-6-8-15(9-7-14)32-19(21,22)23/h2-9,16H,10H2,1H3,(H,24,31)
InChIKeyFKCFSUALEYBLPA-UHFFFAOYSA-N
XLogP4.03
TPSA97.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.82
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-4-(5-methyltetrazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-4-(5-methyltetrazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydropyrazole-2-carboxamide (CID 11476831) is 5-(4-chlorophenyl)-4-(5-methyltetrazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-4-(5-methyltetrazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-4-(5-methyltetrazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydropyrazole-2-carboxamide is Cc1nnn(C2CN(C(=O)Nc3ccc(OC(F)(F)F)cc3)N=C2c2ccc(Cl)cc2)n1.
What is the InChIKey of 5-(4-chlorophenyl)-4-(5-methyltetrazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is FKCFSUALEYBLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF3N7O2/c1-11-25-28-30(26-11)16-10-29(27-17(16)12-2-4-13(20)5-3-12)18(31)24-14-6-8-15(9-7-14)32-19(21,22)23/h2-9,16H,10H2,1H3,(H,24,31).
What are the key properties of 5-(4-chlorophenyl)-4-(5-methyltetrazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydropyrazole-2-carboxamide?
5-(4-chlorophenyl)-4-(5-methyltetrazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 465.82 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-4-(5-methyltetrazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 11476831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).