2,5-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]pyrazole-3-carboxamide

C15H18N4O2 — CID 87024503

IUPAC2,5-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]pyrazole-3-carboxamide
SMILESCNC(=O)c1ccc(CNC(=O)c2cc(C)nn2C)cc1
InChIInChI=1S/C15H18N4O2/c1-10-8-13(19(3)18-10)15(21)17-9-11-4-6-12(7-5-11)14(20)16-2/h4-8H,9H2,1-3H3,(H,16,20)(H,17,21)
InChIKeyLVPTZAGQEPFNRG-UHFFFAOYSA-N
MW286.34 g/mol
LogP1.02
Rot. Bonds4

About 2,5-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]pyrazole-3-carboxamide

2,5-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]pyrazole-3-carboxamide (PubChem CID 87024503) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 2,5-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]pyrazole-3-carboxamide
PubChem CID87024503
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Name2,5-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]pyrazole-3-carboxamide
SMILESCNC(=O)c1ccc(CNC(=O)c2cc(C)nn2C)cc1
InChIInChI=1S/C15H18N4O2/c1-10-8-13(19(3)18-10)15(21)17-9-11-4-6-12(7-5-11)14(20)16-2/h4-8H,9H2,1-3H3,(H,16,20)(H,17,21)
InChIKeyLVPTZAGQEPFNRG-UHFFFAOYSA-N
XLogP1.02
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methoxy-4-methylphenyl)methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 56818575
4-[[[N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N'-methylcarbamimidoyl]amino]methyl]-N-methylbenzamide
CID 111277887
N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-methylbenzamide
CID 19294306
4-[[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]methyl]benzoic acid
CID 66121497
N-[2-(4-hydroxyphenyl)ethyl]-2,5-dimethylpyrazole-3-carboxamide
CID 61357227
N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 146264146
N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 19294390
N-[(4-carbamothioylphenyl)methyl]-2-ethyl-5-methylpyrazole-3-carboxamide
CID 66126547
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 87025083
N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 74239674
4-[(carbamoylamino)methyl]-N-methylbenzamide
CID 39969427
N-methyl-4-[[(1-methylpyrazol-3-yl)amino]methyl]benzamide
CID 54888919

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]pyrazole-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]pyrazole-3-carboxamide (CID 87024503) is 2,5-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]pyrazole-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]pyrazole-3-carboxamide is CNC(=O)c1ccc(CNC(=O)c2cc(C)nn2C)cc1.
What is the InChIKey of 2,5-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]pyrazole-3-carboxamide?
The InChIKey is LVPTZAGQEPFNRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-10-8-13(19(3)18-10)15(21)17-9-11-4-6-12(7-5-11)14(20)16-2/h4-8H,9H2,1-3H3,(H,16,20)(H,17,21).
What are the key properties of 2,5-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]pyrazole-3-carboxamide?
2,5-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]pyrazole-3-carboxamide has a molecular weight of 286.34 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 87024503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).