1-methyl-N-phenacylpyrazole-4-carboxamide

C13H13N3O2 — CID 64991757

IUPAC1-methyl-N-phenacylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCC(=O)c2ccccc2)cn1
InChIInChI=1S/C13H13N3O2/c1-16-9-11(7-15-16)13(18)14-8-12(17)10-5-3-2-4-6-10/h2-7,9H,8H2,1H3,(H,14,18)
InChIKeyAJELPMLEFPMBQN-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.03
Rot. Bonds4

About 1-methyl-N-phenacylpyrazole-4-carboxamide

1-methyl-N-phenacylpyrazole-4-carboxamide (PubChem CID 64991757) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 1-methyl-N-phenacylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-phenacylpyrazole-4-carboxamide
PubChem CID64991757
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name1-methyl-N-phenacylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCC(=O)c2ccccc2)cn1
InChIInChI=1S/C13H13N3O2/c1-16-9-11(7-15-16)13(18)14-8-12(17)10-5-3-2-4-6-10/h2-7,9H,8H2,1H3,(H,14,18)
InChIKeyAJELPMLEFPMBQN-UHFFFAOYSA-N
XLogP1.03
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-2-phenylpropyl)-1-methylpyrazole-4-carboxamide
CID 111335084
1-methyl-N-(3-methyl-2-phenylbutyl)pyrazole-4-carboxamide
CID 86981269
2-(methylamino)-1-(1-methylpyrazol-4-yl)ethanone
CID 82595196
1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 19474553
6-methyl-N-phenacylpyridine-3-carboxamide
CID 64991652
2-[2-[(1-methylpyrazole-4-carbonyl)amino]phenyl]acetic acid
CID 62535911
1-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide
CID 35534129
N-(2-methoxyethyl)-1-methylpyrazole-4-carboxamide
CID 19474676
3-methyl-N-[2-(1-methylpyrazol-4-yl)-2-oxoethyl]butanamide
CID 165457067
N-[2-(benzylsulfamoyl)ethyl]-1-methylpyrazole-4-carboxamide
CID 87003942
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylpyrazole-4-carboxamide
CID 113294452
2-methoxy-3-[(1-methylpyrazole-4-carbonyl)amino]propanoic acid
CID 106107325

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-phenacylpyrazole-4-carboxamide?
The IUPAC name of 1-methyl-N-phenacylpyrazole-4-carboxamide (CID 64991757) is 1-methyl-N-phenacylpyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-phenacylpyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-phenacylpyrazole-4-carboxamide is Cn1cc(C(=O)NCC(=O)c2ccccc2)cn1.
What is the InChIKey of 1-methyl-N-phenacylpyrazole-4-carboxamide?
The InChIKey is AJELPMLEFPMBQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-16-9-11(7-15-16)13(18)14-8-12(17)10-5-3-2-4-6-10/h2-7,9H,8H2,1H3,(H,14,18).
What are the key properties of 1-methyl-N-phenacylpyrazole-4-carboxamide?
1-methyl-N-phenacylpyrazole-4-carboxamide has a molecular weight of 243.27 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-phenacylpyrazole-4-carboxamide is sourced from PubChem (CID 64991757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).