3-cyclopropyl-1-propyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazole-4-carboxamide

C24H25N7O — CID 10550417

IUPAC3-cyclopropyl-1-propyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazole-4-carboxamide
SMILESCCCn1nc(C2CC2)c(C(N)=O)c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C24H25N7O/c1-2-13-31-20(21(23(25)32)22(28-31)17-11-12-17)14-15-7-9-16(10-8-15)18-5-3-4-6-19(18)24-26-29-30-27-24/h3-10,17H,2,11-14H2,1H3,(H2,25,32)(H,26,27,29,30)
InChIKeyGLHRDFFFXHECHK-UHFFFAOYSA-N
MW427.51 g/mol
LogP3.71
Rot. Bonds8

About 3-cyclopropyl-1-propyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazole-4-carboxamide

3-cyclopropyl-1-propyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazole-4-carboxamide (PubChem CID 10550417) has the molecular formula C24H25N7O and a molecular weight of 427.51 g/mol. Its IUPAC name is 3-cyclopropyl-1-propyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-1-propyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazole-4-carboxamide
PubChem CID10550417
Molecular FormulaC24H25N7O
Molecular Weight427.51 g/mol
Exact Mass427.21
IUPAC Name3-cyclopropyl-1-propyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazole-4-carboxamide
SMILESCCCn1nc(C2CC2)c(C(N)=O)c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C24H25N7O/c1-2-13-31-20(21(23(25)32)22(28-31)17-11-12-17)14-15-7-9-16(10-8-15)18-5-3-4-6-19(18)24-26-29-30-27-24/h3-10,17H,2,11-14H2,1H3,(H2,25,32)(H,26,27,29,30)
InChIKeyGLHRDFFFXHECHK-UHFFFAOYSA-N
XLogP3.71
TPSA115.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(3-iso-propyl-1-propyl-5-((2'-(1H-tetrazol-5-yl)-1,1'-biphenyl-4-yl)methyl)-1H-pyrazole-4-carboxylic acid)
CID 9802759
CID 9911332
CID 9911332
1-butyl-3-ethyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazole-4-carboxylic acid
CID 9824008
1-butyl-3-methyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazole-4-carboxylic acid
CID 10070511
3-benzyl-1-propyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazole-4-carboxylic acid
CID 10552655
1-ethyl-3-methyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazole-4-carboxylic acid
CID 10572343
1-butyl-3-propyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazole-4-carboxylic acid
CID 10623164
1-butyl-5-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazole-4-carboxylic acid
CID 10645564
1-butyl-3-methyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazole-4-carboxamide
CID 10669541
3-cyclopropyl-1-propyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazole-4-carboxylic acid
CID 10670203
methyl 1-butyl-3-methyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazole-4-carboxylate
CID 10670295
1-butyl-3-phenyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazole-4-carboxylic acid
CID 10719438

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-propyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazole-4-carboxamide?
The IUPAC name of 3-cyclopropyl-1-propyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazole-4-carboxamide (CID 10550417) is 3-cyclopropyl-1-propyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 3-cyclopropyl-1-propyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for 3-cyclopropyl-1-propyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazole-4-carboxamide is CCCn1nc(C2CC2)c(C(N)=O)c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.
What is the InChIKey of 3-cyclopropyl-1-propyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazole-4-carboxamide?
The InChIKey is GLHRDFFFXHECHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O/c1-2-13-31-20(21(23(25)32)22(28-31)17-11-12-17)14-15-7-9-16(10-8-15)18-5-3-4-6-19(18)24-26-29-30-27-24/h3-10,17H,2,11-14H2,1H3,(H2,25,32)(H,26,27,29,30).
What are the key properties of 3-cyclopropyl-1-propyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazole-4-carboxamide?
3-cyclopropyl-1-propyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazole-4-carboxamide has a molecular weight of 427.51 g/mol, XLogP of 3.71, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-propyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 10550417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).