N,5-dimethyl-1-(4-methylphenyl)-N-[2-(2H-tetrazol-5-yl)propyl]pyrazole-3-carboxamide

C17H21N7O — CID 86798745

IUPACN,5-dimethyl-1-(4-methylphenyl)-N-[2-(2H-tetrazol-5-yl)propyl]pyrazole-3-carboxamide
SMILESCc1ccc(-n2nc(C(=O)N(C)CC(C)c3nn[nH]n3)cc2C)cc1
InChIInChI=1S/C17H21N7O/c1-11-5-7-14(8-6-11)24-13(3)9-15(20-24)17(25)23(4)10-12(2)16-18-21-22-19-16/h5-9,12H,10H2,1-4H3,(H,18,19,21,22)
InChIKeyLNXYIURQSHZPQR-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.88
Rot. Bonds5

About N,5-dimethyl-1-(4-methylphenyl)-N-[2-(2H-tetrazol-5-yl)propyl]pyrazole-3-carboxamide

N,5-dimethyl-1-(4-methylphenyl)-N-[2-(2H-tetrazol-5-yl)propyl]pyrazole-3-carboxamide (PubChem CID 86798745) has the molecular formula C17H21N7O and a molecular weight of 339.40 g/mol. Its IUPAC name is N,5-dimethyl-1-(4-methylphenyl)-N-[2-(2H-tetrazol-5-yl)propyl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN,5-dimethyl-1-(4-methylphenyl)-N-[2-(2H-tetrazol-5-yl)propyl]pyrazole-3-carboxamide
PubChem CID86798745
Molecular FormulaC17H21N7O
Molecular Weight339.40 g/mol
Exact Mass339.18
IUPAC NameN,5-dimethyl-1-(4-methylphenyl)-N-[2-(2H-tetrazol-5-yl)propyl]pyrazole-3-carboxamide
SMILESCc1ccc(-n2nc(C(=O)N(C)CC(C)c3nn[nH]n3)cc2C)cc1
InChIInChI=1S/C17H21N7O/c1-11-5-7-14(8-6-11)24-13(3)9-15(20-24)17(25)23(4)10-12(2)16-18-21-22-19-16/h5-9,12H,10H2,1-4H3,(H,18,19,21,22)
InChIKeyLNXYIURQSHZPQR-UHFFFAOYSA-N
XLogP1.88
TPSA92.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-1-(4-methylphenyl)-N-[2-(2H-tetrazol-5-yl)propyl]pyrazole-3-carboxamide?
The IUPAC name of N,5-dimethyl-1-(4-methylphenyl)-N-[2-(2H-tetrazol-5-yl)propyl]pyrazole-3-carboxamide (CID 86798745) is N,5-dimethyl-1-(4-methylphenyl)-N-[2-(2H-tetrazol-5-yl)propyl]pyrazole-3-carboxamide.
What is the SMILES notation for N,5-dimethyl-1-(4-methylphenyl)-N-[2-(2H-tetrazol-5-yl)propyl]pyrazole-3-carboxamide?
The canonical SMILES for N,5-dimethyl-1-(4-methylphenyl)-N-[2-(2H-tetrazol-5-yl)propyl]pyrazole-3-carboxamide is Cc1ccc(-n2nc(C(=O)N(C)CC(C)c3nn[nH]n3)cc2C)cc1.
What is the InChIKey of N,5-dimethyl-1-(4-methylphenyl)-N-[2-(2H-tetrazol-5-yl)propyl]pyrazole-3-carboxamide?
The InChIKey is LNXYIURQSHZPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7O/c1-11-5-7-14(8-6-11)24-13(3)9-15(20-24)17(25)23(4)10-12(2)16-18-21-22-19-16/h5-9,12H,10H2,1-4H3,(H,18,19,21,22).
What are the key properties of N,5-dimethyl-1-(4-methylphenyl)-N-[2-(2H-tetrazol-5-yl)propyl]pyrazole-3-carboxamide?
N,5-dimethyl-1-(4-methylphenyl)-N-[2-(2H-tetrazol-5-yl)propyl]pyrazole-3-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-1-(4-methylphenyl)-N-[2-(2H-tetrazol-5-yl)propyl]pyrazole-3-carboxamide is sourced from PubChem (CID 86798745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).