N-[4-(cyclopropylcarbamoyl)phenyl]-2,5-dimethylpyrazole-3-carboxamide

C16H18N4O2 — CID 87024230

IUPACN-[4-(cyclopropylcarbamoyl)phenyl]-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(C(=O)NC3CC3)cc2)n(C)n1
InChIInChI=1S/C16H18N4O2/c1-10-9-14(20(2)19-10)16(22)18-12-5-3-11(4-6-12)15(21)17-13-7-8-13/h3-6,9,13H,7-8H2,1-2H3,(H,17,21)(H,18,22)
InChIKeyIVQTYERSILAQED-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.87
Rot. Bonds4

About N-[4-(cyclopropylcarbamoyl)phenyl]-2,5-dimethylpyrazole-3-carboxamide

N-[4-(cyclopropylcarbamoyl)phenyl]-2,5-dimethylpyrazole-3-carboxamide (PubChem CID 87024230) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is N-[4-(cyclopropylcarbamoyl)phenyl]-2,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(cyclopropylcarbamoyl)phenyl]-2,5-dimethylpyrazole-3-carboxamide
PubChem CID87024230
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC NameN-[4-(cyclopropylcarbamoyl)phenyl]-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(C(=O)NC3CC3)cc2)n(C)n1
InChIInChI=1S/C16H18N4O2/c1-10-9-14(20(2)19-10)16(22)18-12-5-3-11(4-6-12)15(21)17-13-7-8-13/h3-6,9,13H,7-8H2,1-2H3,(H,17,21)(H,18,22)
InChIKeyIVQTYERSILAQED-UHFFFAOYSA-N
XLogP1.87
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-hydroxycyclohexyl)-2,5-dimethylpyrazole-3-carboxamide
CID 61057507
N-(4-tert-butylphenyl)-2,5-dimethylpyrazole-3-carboxamide
CID 110685894
N-(3,4-dimethylphenyl)-2,5-dimethylpyrazole-3-carboxamide
CID 110685886
1-[4-[(2,5-dimethylpyrazole-3-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid
CID 119250648
N-[3-(cyclopropylcarbamoyl)thiophen-2-yl]-2,5-dimethylpyrazole-3-carboxamide
CID 56822157
N-[4-(cyclopropylcarbamoyl)phenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 51299884
2,5-dimethyl-N-[4-(propylamino)cyclohexyl]pyrazole-3-carboxamide
CID 66126685
4-N-(4-acetylphenyl)-1-N-cyclopropylbenzene-1,4-dicarboxamide
CID 109043399
N-[4-(bromomethyl)phenyl]-2,5-dimethylpyrazole-3-carboxamide
CID 114310907
4-[(2,5-dimethylpyrazole-3-carbonyl)amino]benzenesulfonyl chloride
CID 66128613
3-amino-N-[4-(cyclopropylcarbamoyl)phenyl]-1H-pyrazole-5-carboxamide
CID 64523459
N-cyclopropyl-4-(cyclopropylcarbamoylamino)benzamide
CID 17180568

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopropylcarbamoyl)phenyl]-2,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[4-(cyclopropylcarbamoyl)phenyl]-2,5-dimethylpyrazole-3-carboxamide (CID 87024230) is N-[4-(cyclopropylcarbamoyl)phenyl]-2,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[4-(cyclopropylcarbamoyl)phenyl]-2,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[4-(cyclopropylcarbamoyl)phenyl]-2,5-dimethylpyrazole-3-carboxamide is Cc1cc(C(=O)Nc2ccc(C(=O)NC3CC3)cc2)n(C)n1.
What is the InChIKey of N-[4-(cyclopropylcarbamoyl)phenyl]-2,5-dimethylpyrazole-3-carboxamide?
The InChIKey is IVQTYERSILAQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-10-9-14(20(2)19-10)16(22)18-12-5-3-11(4-6-12)15(21)17-13-7-8-13/h3-6,9,13H,7-8H2,1-2H3,(H,17,21)(H,18,22).
What are the key properties of N-[4-(cyclopropylcarbamoyl)phenyl]-2,5-dimethylpyrazole-3-carboxamide?
N-[4-(cyclopropylcarbamoyl)phenyl]-2,5-dimethylpyrazole-3-carboxamide has a molecular weight of 298.35 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopropylcarbamoyl)phenyl]-2,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 87024230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).