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

C24H24N6O2 — CID 10670203

IUPAC3-cyclopropyl-1-propyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazole-4-carboxylic acid
SMILESCCCn1nc(C2CC2)c(C(=O)O)c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C24H24N6O2/c1-2-13-30-20(21(24(31)32)22(27-30)17-11-12-17)14-15-7-9-16(10-8-15)18-5-3-4-6-19(18)23-25-28-29-26-23/h3-10,17H,2,11-14H2,1H3,(H,31,32)(H,25,26,28,29)
InChIKeyZHPBUKZFPNASJH-UHFFFAOYSA-N
MW428.50 g/mol
LogP4.31
Rot. Bonds8

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

3-cyclopropyl-1-propyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazole-4-carboxylic acid (PubChem CID 10670203) has the molecular formula C24H24N6O2 and a molecular weight of 428.50 g/mol. Its IUPAC name is 3-cyclopropyl-1-propyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name3-cyclopropyl-1-propyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazole-4-carboxylic acid
PubChem CID10670203
Molecular FormulaC24H24N6O2
Molecular Weight428.50 g/mol
Exact Mass428.20
IUPAC Name3-cyclopropyl-1-propyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazole-4-carboxylic acid
SMILESCCCn1nc(C2CC2)c(C(=O)O)c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C24H24N6O2/c1-2-13-30-20(21(24(31)32)22(27-30)17-11-12-17)14-15-7-9-16(10-8-15)18-5-3-4-6-19(18)23-25-28-29-26-23/h3-10,17H,2,11-14H2,1H3,(H,31,32)(H,25,26,28,29)
InChIKeyZHPBUKZFPNASJH-UHFFFAOYSA-N
XLogP4.31
TPSA109.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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-carboxylic acid?
The IUPAC name of 3-cyclopropyl-1-propyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazole-4-carboxylic acid (CID 10670203) is 3-cyclopropyl-1-propyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazole-4-carboxylic acid.
What is the SMILES notation for 3-cyclopropyl-1-propyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazole-4-carboxylic acid?
The canonical SMILES for 3-cyclopropyl-1-propyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazole-4-carboxylic acid is CCCn1nc(C2CC2)c(C(=O)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-carboxylic acid?
The InChIKey is ZHPBUKZFPNASJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O2/c1-2-13-30-20(21(24(31)32)22(27-30)17-11-12-17)14-15-7-9-16(10-8-15)18-5-3-4-6-19(18)23-25-28-29-26-23/h3-10,17H,2,11-14H2,1H3,(H,31,32)(H,25,26,28,29).
What are the key properties of 3-cyclopropyl-1-propyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazole-4-carboxylic acid?
3-cyclopropyl-1-propyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazole-4-carboxylic acid has a molecular weight of 428.50 g/mol, XLogP of 4.31, 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-carboxylic acid is sourced from PubChem (CID 10670203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).