1-propan-2-yl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pyrazole-3-carboxamide

C15H17N7O — CID 122560186

IUPAC1-propan-2-yl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pyrazole-3-carboxamide
SMILESCC(C)n1ccc(C(=O)NCc2cccc(-c3nn[nH]n3)c2)n1
InChIInChI=1S/C15H17N7O/c1-10(2)22-7-6-13(19-22)15(23)16-9-11-4-3-5-12(8-11)14-17-20-21-18-14/h3-8,10H,9H2,1-2H3,(H,16,23)(H,17,18,20,21)
InChIKeyFNUGZOAOQBMKBR-UHFFFAOYSA-N
MW311.35 g/mol
LogP1.57
Rot. Bonds5

About 1-propan-2-yl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pyrazole-3-carboxamide

1-propan-2-yl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pyrazole-3-carboxamide (PubChem CID 122560186) has the molecular formula C15H17N7O and a molecular weight of 311.35 g/mol. Its IUPAC name is 1-propan-2-yl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-propan-2-yl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pyrazole-3-carboxamide
PubChem CID122560186
Molecular FormulaC15H17N7O
Molecular Weight311.35 g/mol
Exact Mass311.15
IUPAC Name1-propan-2-yl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pyrazole-3-carboxamide
SMILESCC(C)n1ccc(C(=O)NCc2cccc(-c3nn[nH]n3)c2)n1
InChIInChI=1S/C15H17N7O/c1-10(2)22-7-6-13(19-22)15(23)16-9-11-4-3-5-12(8-11)14-17-20-21-18-14/h3-8,10H,9H2,1-2H3,(H,16,23)(H,17,18,20,21)
InChIKeyFNUGZOAOQBMKBR-UHFFFAOYSA-N
XLogP1.57
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pyrazole-3-carboxamide?
The IUPAC name of 1-propan-2-yl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pyrazole-3-carboxamide (CID 122560186) is 1-propan-2-yl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-propan-2-yl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-propan-2-yl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pyrazole-3-carboxamide is CC(C)n1ccc(C(=O)NCc2cccc(-c3nn[nH]n3)c2)n1.
What is the InChIKey of 1-propan-2-yl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pyrazole-3-carboxamide?
The InChIKey is FNUGZOAOQBMKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7O/c1-10(2)22-7-6-13(19-22)15(23)16-9-11-4-3-5-12(8-11)14-17-20-21-18-14/h3-8,10H,9H2,1-2H3,(H,16,23)(H,17,18,20,21).
What are the key properties of 1-propan-2-yl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pyrazole-3-carboxamide?
1-propan-2-yl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pyrazole-3-carboxamide has a molecular weight of 311.35 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 122560186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).