N,5-dimethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-1-phenylpyrazole-3-carboxamide

C16H18N6O — CID 71985750

IUPACN,5-dimethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-1-phenylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(C)Cc2ncnn2C)nn1-c1ccccc1
InChIInChI=1S/C16H18N6O/c1-12-9-14(19-22(12)13-7-5-4-6-8-13)16(23)20(2)10-15-17-11-18-21(15)3/h4-9,11H,10H2,1-3H3
InChIKeyHVDARXRTQZVEQM-UHFFFAOYSA-N
MW310.36 g/mol
LogP1.58
Rot. Bonds4

About N,5-dimethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-1-phenylpyrazole-3-carboxamide

N,5-dimethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-1-phenylpyrazole-3-carboxamide (PubChem CID 71985750) has the molecular formula C16H18N6O and a molecular weight of 310.36 g/mol. Its IUPAC name is N,5-dimethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN,5-dimethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-1-phenylpyrazole-3-carboxamide
PubChem CID71985750
Molecular FormulaC16H18N6O
Molecular Weight310.36 g/mol
Exact Mass310.15
IUPAC NameN,5-dimethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-1-phenylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(C)Cc2ncnn2C)nn1-c1ccccc1
InChIInChI=1S/C16H18N6O/c1-12-9-14(19-22(12)13-7-5-4-6-8-13)16(23)20(2)10-15-17-11-18-21(15)3/h4-9,11H,10H2,1-3H3
InChIKeyHVDARXRTQZVEQM-UHFFFAOYSA-N
XLogP1.58
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-1-phenylpyrazole-3-carboxamide?
The IUPAC name of N,5-dimethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-1-phenylpyrazole-3-carboxamide (CID 71985750) is N,5-dimethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N,5-dimethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for N,5-dimethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-1-phenylpyrazole-3-carboxamide is Cc1cc(C(=O)N(C)Cc2ncnn2C)nn1-c1ccccc1.
What is the InChIKey of N,5-dimethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-1-phenylpyrazole-3-carboxamide?
The InChIKey is HVDARXRTQZVEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O/c1-12-9-14(19-22(12)13-7-5-4-6-8-13)16(23)20(2)10-15-17-11-18-21(15)3/h4-9,11H,10H2,1-3H3.
What are the key properties of N,5-dimethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-1-phenylpyrazole-3-carboxamide?
N,5-dimethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-1-phenylpyrazole-3-carboxamide has a molecular weight of 310.36 g/mol, XLogP of 1.58, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 71985750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).