1-[3-(methylaminomethyl)phenyl]pyrazole-4-carboxamide

C12H14N4O — CID 64782726

IUPAC1-[3-(methylaminomethyl)phenyl]pyrazole-4-carboxamide
SMILESCNCc1cccc(-n2cc(C(N)=O)cn2)c1
InChIInChI=1S/C12H14N4O/c1-14-6-9-3-2-4-11(5-9)16-8-10(7-15-16)12(13)17/h2-5,7-8,14H,6H2,1H3,(H2,13,17)
InChIKeyATRHUNFZPQXAEN-UHFFFAOYSA-N
MW230.27 g/mol
LogP0.69
Rot. Bonds4

About 1-[3-(methylaminomethyl)phenyl]pyrazole-4-carboxamide

1-[3-(methylaminomethyl)phenyl]pyrazole-4-carboxamide (PubChem CID 64782726) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 1-[3-(methylaminomethyl)phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[3-(methylaminomethyl)phenyl]pyrazole-4-carboxamide
PubChem CID64782726
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name1-[3-(methylaminomethyl)phenyl]pyrazole-4-carboxamide
SMILESCNCc1cccc(-n2cc(C(N)=O)cn2)c1
InChIInChI=1S/C12H14N4O/c1-14-6-9-3-2-4-11(5-9)16-8-10(7-15-16)12(13)17/h2-5,7-8,14H,6H2,1H3,(H2,13,17)
InChIKeyATRHUNFZPQXAEN-UHFFFAOYSA-N
XLogP0.69
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chloro-4-pyridinyl)pyrazole-4-carboxamide
CID 64781605
3-[4-[(3-methylphenyl)carbamoylamino]pyrazol-1-yl]benzamide
CID 117076261
1-[3-(methylaminomethyl)phenyl]indole-7-carboxamide
CID 172688184
(3-ethylphenyl)-(1-phenylpyrazol-4-yl)methanone
CID 105120280
3-[[(1-methylpyrazol-4-yl)methylamino]methyl]benzamide
CID 43664759
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 1-phenylpyrazole-4-carboxylate
CID 18122694
1-(4-bromophenyl)-N-[(3-bromophenyl)methyl]pyrazole-4-carboxamide
CID 50772799
1-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 64782151
1-(3-methoxycarbonylphenyl)pyrazole-4-carboxylic acid
CID 18613364
1-[4-[3-(benzylcarbamoyl)-2-methylphenoxy]quinolin-7-yl]pyrazole-4-carboxamide
CID 155778893
1-(3-cyano-4-nitrophenyl)pyrazole-4-carboxamide
CID 115501371
(3-carbamoylphenyl) 1-phenylpyrazole-4-carboxylate
CID 86998341

Frequently Asked Questions

What is the IUPAC name of 1-[3-(methylaminomethyl)phenyl]pyrazole-4-carboxamide?
The IUPAC name of 1-[3-(methylaminomethyl)phenyl]pyrazole-4-carboxamide (CID 64782726) is 1-[3-(methylaminomethyl)phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-[3-(methylaminomethyl)phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-[3-(methylaminomethyl)phenyl]pyrazole-4-carboxamide is CNCc1cccc(-n2cc(C(N)=O)cn2)c1.
What is the InChIKey of 1-[3-(methylaminomethyl)phenyl]pyrazole-4-carboxamide?
The InChIKey is ATRHUNFZPQXAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-14-6-9-3-2-4-11(5-9)16-8-10(7-15-16)12(13)17/h2-5,7-8,14H,6H2,1H3,(H2,13,17).
What are the key properties of 1-[3-(methylaminomethyl)phenyl]pyrazole-4-carboxamide?
1-[3-(methylaminomethyl)phenyl]pyrazole-4-carboxamide has a molecular weight of 230.27 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methylaminomethyl)phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 64782726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).