3-methoxy-N-[(1-methylpyrazol-3-yl)methyl]-1-phenylpyrazole-5-carboxamide

C16H17N5O2 — CID 100830431

IUPAC3-methoxy-N-[(1-methylpyrazol-3-yl)methyl]-1-phenylpyrazole-5-carboxamide
SMILESCOc1cc(C(=O)NCc2ccn(C)n2)n(-c2ccccc2)n1
InChIInChI=1S/C16H17N5O2/c1-20-9-8-12(18-20)11-17-16(22)14-10-15(23-2)19-21(14)13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,17,22)
InChIKeyARACYQKWUPJVSI-UHFFFAOYSA-N
MW311.35 g/mol
LogP1.54
Rot. Bonds5

About 3-methoxy-N-[(1-methylpyrazol-3-yl)methyl]-1-phenylpyrazole-5-carboxamide

3-methoxy-N-[(1-methylpyrazol-3-yl)methyl]-1-phenylpyrazole-5-carboxamide (PubChem CID 100830431) has the molecular formula C16H17N5O2 and a molecular weight of 311.35 g/mol. Its IUPAC name is 3-methoxy-N-[(1-methylpyrazol-3-yl)methyl]-1-phenylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-methoxy-N-[(1-methylpyrazol-3-yl)methyl]-1-phenylpyrazole-5-carboxamide
PubChem CID100830431
Molecular FormulaC16H17N5O2
Molecular Weight311.35 g/mol
Exact Mass311.14
IUPAC Name3-methoxy-N-[(1-methylpyrazol-3-yl)methyl]-1-phenylpyrazole-5-carboxamide
SMILESCOc1cc(C(=O)NCc2ccn(C)n2)n(-c2ccccc2)n1
InChIInChI=1S/C16H17N5O2/c1-20-9-8-12(18-20)11-17-16(22)14-10-15(23-2)19-21(14)13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,17,22)
InChIKeyARACYQKWUPJVSI-UHFFFAOYSA-N
XLogP1.54
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methoxy-1-phenyl-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide
CID 100830411
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methoxy-1-phenylpyrazole-5-carboxamide
CID 100830947
N-(1-ethyl-5-methylpyrazol-3-yl)-3-methoxy-1-phenylpyrazole-5-carboxamide
CID 100830430
2-iodo-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 19329144
phenyl N-[(1-methylpyrazol-3-yl)methyl]carbamate
CID 82874679
3,5-dibromo-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 103908537
3-bromo-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 19330923
2-methoxy-N-[(1-methylpyrazol-3-yl)methyl]propanamide
CID 115870664
3,4-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 19330914
2,6-dichloro-N-[(1-methylpyrazol-3-yl)methyl]pyridine-4-carboxamide
CID 82882213
3-cyclopropyl-N-[(2-methoxyphenyl)methyl]-1-phenylpyrazole-5-carboxamide
CID 9404708
2-[5-[(1-methylpyrazol-3-yl)methylcarbamoyl]pyrazol-1-yl]propanoic acid
CID 19487657

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(1-methylpyrazol-3-yl)methyl]-1-phenylpyrazole-5-carboxamide?
The IUPAC name of 3-methoxy-N-[(1-methylpyrazol-3-yl)methyl]-1-phenylpyrazole-5-carboxamide (CID 100830431) is 3-methoxy-N-[(1-methylpyrazol-3-yl)methyl]-1-phenylpyrazole-5-carboxamide.
What is the SMILES notation for 3-methoxy-N-[(1-methylpyrazol-3-yl)methyl]-1-phenylpyrazole-5-carboxamide?
The canonical SMILES for 3-methoxy-N-[(1-methylpyrazol-3-yl)methyl]-1-phenylpyrazole-5-carboxamide is COc1cc(C(=O)NCc2ccn(C)n2)n(-c2ccccc2)n1.
What is the InChIKey of 3-methoxy-N-[(1-methylpyrazol-3-yl)methyl]-1-phenylpyrazole-5-carboxamide?
The InChIKey is ARACYQKWUPJVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2/c1-20-9-8-12(18-20)11-17-16(22)14-10-15(23-2)19-21(14)13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,17,22).
What are the key properties of 3-methoxy-N-[(1-methylpyrazol-3-yl)methyl]-1-phenylpyrazole-5-carboxamide?
3-methoxy-N-[(1-methylpyrazol-3-yl)methyl]-1-phenylpyrazole-5-carboxamide has a molecular weight of 311.35 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[(1-methylpyrazol-3-yl)methyl]-1-phenylpyrazole-5-carboxamide is sourced from PubChem (CID 100830431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).