3-[5-amino-4-(4-methoxybenzoyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide

C22H22N4O3 — CID 11486097

IUPAC3-[5-amino-4-(4-methoxybenzoyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide
SMILESCOc1ccc(C(=O)c2cnn(-c3cc(C(=O)NC4CC4)ccc3C)c2N)cc1
InChIInChI=1S/C22H22N4O3/c1-13-3-4-15(22(28)25-16-7-8-16)11-19(13)26-21(23)18(12-24-26)20(27)14-5-9-17(29-2)10-6-14/h3-6,9-12,16H,7-8,23H2,1-2H3,(H,25,28)
InChIKeyQMTXKMXNPWHWNQ-UHFFFAOYSA-N
MW390.44 g/mol
LogP2.89
Rot. Bonds6

About 3-[5-amino-4-(4-methoxybenzoyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide

3-[5-amino-4-(4-methoxybenzoyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide (PubChem CID 11486097) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is 3-[5-amino-4-(4-methoxybenzoyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide.

Molecular Properties

Compound Name3-[5-amino-4-(4-methoxybenzoyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide
PubChem CID11486097
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Name3-[5-amino-4-(4-methoxybenzoyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide
SMILESCOc1ccc(C(=O)c2cnn(-c3cc(C(=O)NC4CC4)ccc3C)c2N)cc1
InChIInChI=1S/C22H22N4O3/c1-13-3-4-15(22(28)25-16-7-8-16)11-19(13)26-21(23)18(12-24-26)20(27)14-5-9-17(29-2)10-6-14/h3-6,9-12,16H,7-8,23H2,1-2H3,(H,25,28)
InChIKeyQMTXKMXNPWHWNQ-UHFFFAOYSA-N
XLogP2.89
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[5-amino-4-(3-methoxy-4-methylbenzoyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide
CID 142992738
bis(3-(5-amino-4-benzoylpyrazol-1-yl)-N-cyclopropyl-4-methylbenzamide);3-(5-amino-4-benzoylpyrazol-1-yl)-4-methylbenzoic acid;cyclopropanamine
CID 157110865
3-[5-amino-4-(1H-indole-5-carbonyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide
CID 142313385
3-[5-amino-4-(3-chlorobenzoyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide
CID 11440828
5-amino-N-(4-tert-butylcyclohexyl)-1-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazole-4-carboxamide
CID 58089045
3-[5-amino-4-(2,3-dihydro-1H-indole-5-carbonyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide
CID 142313359
3-[5-amino-4-(1-methyl-3,4-dihydro-2H-quinoline-7-carbonyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide
CID 142313318
3-[5-amino-4-[1-[2-(dimethylamino)ethyl]indazole-5-carbonyl]pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide
CID 142313371
3-[5-amino-3-(cyclohexanecarbonyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide;3-[5-amino-4-(4-fluorobenzoyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide
CID 67014694
3-[5-amino-4-[3-[2-(3-aminopyrrolidin-1-yl)-2-oxoethoxy]benzoyl]pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide
CID 58089036
3-[5-amino-4-[3-[2-[bis(2-hydroxyethyl)amino]ethoxy]benzoyl]pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide;3-[5-amino-4-[3-[2-(dimethylamino)ethoxy]benzoyl]pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide
CID 87236368
3-[5-amino-4-[3-[[2-(3-chlorophenyl)ethylamino]methyl]benzoyl]pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide
CID 58089046

Frequently Asked Questions

What is the IUPAC name of 3-[5-amino-4-(4-methoxybenzoyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide?
The IUPAC name of 3-[5-amino-4-(4-methoxybenzoyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide (CID 11486097) is 3-[5-amino-4-(4-methoxybenzoyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide.
What is the SMILES notation for 3-[5-amino-4-(4-methoxybenzoyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide?
The canonical SMILES for 3-[5-amino-4-(4-methoxybenzoyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide is COc1ccc(C(=O)c2cnn(-c3cc(C(=O)NC4CC4)ccc3C)c2N)cc1.
What is the InChIKey of 3-[5-amino-4-(4-methoxybenzoyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide?
The InChIKey is QMTXKMXNPWHWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-13-3-4-15(22(28)25-16-7-8-16)11-19(13)26-21(23)18(12-24-26)20(27)14-5-9-17(29-2)10-6-14/h3-6,9-12,16H,7-8,23H2,1-2H3,(H,25,28).
What are the key properties of 3-[5-amino-4-(4-methoxybenzoyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide?
3-[5-amino-4-(4-methoxybenzoyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide has a molecular weight of 390.44 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-amino-4-(4-methoxybenzoyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide is sourced from PubChem (CID 11486097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).