1-methyl-N-[(3-nitrosophenyl)methyl]pyrazole-4-carboxamide

C12H12N4O2 — CID 88578344

IUPAC1-methyl-N-[(3-nitrosophenyl)methyl]pyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCc2cccc(N=O)c2)cn1
InChIInChI=1S/C12H12N4O2/c1-16-8-10(7-14-16)12(17)13-6-9-3-2-4-11(5-9)15-18/h2-5,7-8H,6H2,1H3,(H,13,17)
InChIKeyNHXOMBXCAORMEB-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.75
Rot. Bonds4

About 1-methyl-N-[(3-nitrosophenyl)methyl]pyrazole-4-carboxamide

1-methyl-N-[(3-nitrosophenyl)methyl]pyrazole-4-carboxamide (PubChem CID 88578344) has the molecular formula C12H12N4O2 and a molecular weight of 244.25 g/mol. Its IUPAC name is 1-methyl-N-[(3-nitrosophenyl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(3-nitrosophenyl)methyl]pyrazole-4-carboxamide
PubChem CID88578344
Molecular FormulaC12H12N4O2
Molecular Weight244.25 g/mol
Exact Mass244.10
IUPAC Name1-methyl-N-[(3-nitrosophenyl)methyl]pyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCc2cccc(N=O)c2)cn1
InChIInChI=1S/C12H12N4O2/c1-16-8-10(7-14-16)12(17)13-6-9-3-2-4-11(5-9)15-18/h2-5,7-8H,6H2,1H3,(H,13,17)
InChIKeyNHXOMBXCAORMEB-UHFFFAOYSA-N
XLogP1.75
TPSA76.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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N-[(3-fluoro-4-methoxyphenyl)methyl]-1-methylpyrazole-4-carboxamide
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N-[(4-cyanophenyl)methyl]-1-methylpyrazole-4-carboxamide
CID 47161871
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3-(N'-hydroxycarbamimidoyl)-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 76928206
N-[(2,4-dimethylphenyl)methyl]-1-methylpyrazole-4-carboxamide
CID 86925542
3-(dimethylamino)-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 47375354
N-(1-benzofuran-2-ylmethyl)-1-methylpyrazole-4-carboxamide
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1-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide
CID 35534129
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CID 64991757

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(3-nitrosophenyl)methyl]pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-N-[(3-nitrosophenyl)methyl]pyrazole-4-carboxamide (CID 88578344) is 1-methyl-N-[(3-nitrosophenyl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[(3-nitrosophenyl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-[(3-nitrosophenyl)methyl]pyrazole-4-carboxamide is Cn1cc(C(=O)NCc2cccc(N=O)c2)cn1.
What is the InChIKey of 1-methyl-N-[(3-nitrosophenyl)methyl]pyrazole-4-carboxamide?
The InChIKey is NHXOMBXCAORMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2/c1-16-8-10(7-14-16)12(17)13-6-9-3-2-4-11(5-9)15-18/h2-5,7-8H,6H2,1H3,(H,13,17).
What are the key properties of 1-methyl-N-[(3-nitrosophenyl)methyl]pyrazole-4-carboxamide?
1-methyl-N-[(3-nitrosophenyl)methyl]pyrazole-4-carboxamide has a molecular weight of 244.25 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(3-nitrosophenyl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 88578344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).