N-[4-methyl-3-(tetrazol-1-yl)phenyl]-1H-pyrazole-4-carboxamide

C12H11N7O — CID 61260669

IUPACN-[4-methyl-3-(tetrazol-1-yl)phenyl]-1H-pyrazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2cn[nH]c2)cc1-n1cnnn1
InChIInChI=1S/C12H11N7O/c1-8-2-3-10(4-11(8)19-7-15-17-18-19)16-12(20)9-5-13-14-6-9/h2-7H,1H3,(H,13,14)(H,16,20)
InChIKeyKASTXIQOCSPPRE-UHFFFAOYSA-N
MW269.27 g/mol
LogP0.95
Rot. Bonds3

About N-[4-methyl-3-(tetrazol-1-yl)phenyl]-1H-pyrazole-4-carboxamide

N-[4-methyl-3-(tetrazol-1-yl)phenyl]-1H-pyrazole-4-carboxamide (PubChem CID 61260669) has the molecular formula C12H11N7O and a molecular weight of 269.27 g/mol. Its IUPAC name is N-[4-methyl-3-(tetrazol-1-yl)phenyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-methyl-3-(tetrazol-1-yl)phenyl]-1H-pyrazole-4-carboxamide
PubChem CID61260669
Molecular FormulaC12H11N7O
Molecular Weight269.27 g/mol
Exact Mass269.10
IUPAC NameN-[4-methyl-3-(tetrazol-1-yl)phenyl]-1H-pyrazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2cn[nH]c2)cc1-n1cnnn1
InChIInChI=1S/C12H11N7O/c1-8-2-3-10(4-11(8)19-7-15-17-18-19)16-12(20)9-5-13-14-6-9/h2-7H,1H3,(H,13,14)(H,16,20)
InChIKeyKASTXIQOCSPPRE-UHFFFAOYSA-N
XLogP0.95
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-(tetrazol-1-yl)phenyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[4-methyl-3-(tetrazol-1-yl)phenyl]-1H-pyrazole-4-carboxamide (CID 61260669) is N-[4-methyl-3-(tetrazol-1-yl)phenyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[4-methyl-3-(tetrazol-1-yl)phenyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[4-methyl-3-(tetrazol-1-yl)phenyl]-1H-pyrazole-4-carboxamide is Cc1ccc(NC(=O)c2cn[nH]c2)cc1-n1cnnn1.
What is the InChIKey of N-[4-methyl-3-(tetrazol-1-yl)phenyl]-1H-pyrazole-4-carboxamide?
The InChIKey is KASTXIQOCSPPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N7O/c1-8-2-3-10(4-11(8)19-7-15-17-18-19)16-12(20)9-5-13-14-6-9/h2-7H,1H3,(H,13,14)(H,16,20).
What are the key properties of N-[4-methyl-3-(tetrazol-1-yl)phenyl]-1H-pyrazole-4-carboxamide?
N-[4-methyl-3-(tetrazol-1-yl)phenyl]-1H-pyrazole-4-carboxamide has a molecular weight of 269.27 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-(tetrazol-1-yl)phenyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 61260669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).