N-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-2-(2-methylpropyl)pyrazole-3-carboxamide

C15H16ClN7O — CID 164641353

IUPACN-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-2-(2-methylpropyl)pyrazole-3-carboxamide
SMILESCC(C)Cn1nccc1C(=O)Nc1cc(Cl)ccc1-c1nn[nH]n1
InChIInChI=1S/C15H16ClN7O/c1-9(2)8-23-13(5-6-17-23)15(24)18-12-7-10(16)3-4-11(12)14-19-21-22-20-14/h3-7,9H,8H2,1-2H3,(H,18,24)(H,19,20,21,22)
InChIKeyAUKUWQFZUIXIBZ-UHFFFAOYSA-N
MW345.79 g/mol
LogP2.62
Rot. Bonds5

About N-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-2-(2-methylpropyl)pyrazole-3-carboxamide

N-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-2-(2-methylpropyl)pyrazole-3-carboxamide (PubChem CID 164641353) has the molecular formula C15H16ClN7O and a molecular weight of 345.79 g/mol. Its IUPAC name is N-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-2-(2-methylpropyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-2-(2-methylpropyl)pyrazole-3-carboxamide
PubChem CID164641353
Molecular FormulaC15H16ClN7O
Molecular Weight345.79 g/mol
Exact Mass345.11
IUPAC NameN-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-2-(2-methylpropyl)pyrazole-3-carboxamide
SMILESCC(C)Cn1nccc1C(=O)Nc1cc(Cl)ccc1-c1nn[nH]n1
InChIInChI=1S/C15H16ClN7O/c1-9(2)8-23-13(5-6-17-23)15(24)18-12-7-10(16)3-4-11(12)14-19-21-22-20-14/h3-7,9H,8H2,1-2H3,(H,18,24)(H,19,20,21,22)
InChIKeyAUKUWQFZUIXIBZ-UHFFFAOYSA-N
XLogP2.62
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.79
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-2-(2-methylpropyl)pyrazole-3-carboxamide?
The IUPAC name of N-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-2-(2-methylpropyl)pyrazole-3-carboxamide (CID 164641353) is N-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-2-(2-methylpropyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-2-(2-methylpropyl)pyrazole-3-carboxamide?
The canonical SMILES for N-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-2-(2-methylpropyl)pyrazole-3-carboxamide is CC(C)Cn1nccc1C(=O)Nc1cc(Cl)ccc1-c1nn[nH]n1.
What is the InChIKey of N-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-2-(2-methylpropyl)pyrazole-3-carboxamide?
The InChIKey is AUKUWQFZUIXIBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN7O/c1-9(2)8-23-13(5-6-17-23)15(24)18-12-7-10(16)3-4-11(12)14-19-21-22-20-14/h3-7,9H,8H2,1-2H3,(H,18,24)(H,19,20,21,22).
What are the key properties of N-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-2-(2-methylpropyl)pyrazole-3-carboxamide?
N-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-2-(2-methylpropyl)pyrazole-3-carboxamide has a molecular weight of 345.79 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-2-(2-methylpropyl)pyrazole-3-carboxamide is sourced from PubChem (CID 164641353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).