[5-amino-1-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazol-4-yl] N-(4-tert-butylcyclohexyl)carbamate

C25H35N5O3 — CID 67319534

IUPAC[5-amino-1-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazol-4-yl] N-(4-tert-butylcyclohexyl)carbamate
SMILESCc1ccc(C(=O)NC2CC2)cc1-n1ncc(OC(=O)NC2CCC(C(C)(C)C)CC2)c1N
InChIInChI=1S/C25H35N5O3/c1-15-5-6-16(23(31)28-18-11-12-18)13-20(15)30-22(26)21(14-27-30)33-24(32)29-19-9-7-17(8-10-19)25(2,3)4/h5-6,13-14,17-19H,7-12,26H2,1-4H3,(H,28,31)(H,29,32)
InChIKeyXZGZSZTWQSNERQ-UHFFFAOYSA-N
MW453.59 g/mol
LogP4.35
Rot. Bonds5

About [5-amino-1-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazol-4-yl] N-(4-tert-butylcyclohexyl)carbamate

[5-amino-1-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazol-4-yl] N-(4-tert-butylcyclohexyl)carbamate (PubChem CID 67319534) has the molecular formula C25H35N5O3 and a molecular weight of 453.59 g/mol. Its IUPAC name is [5-amino-1-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazol-4-yl] N-(4-tert-butylcyclohexyl)carbamate.

Molecular Properties

Compound Name[5-amino-1-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazol-4-yl] N-(4-tert-butylcyclohexyl)carbamate
PubChem CID67319534
Molecular FormulaC25H35N5O3
Molecular Weight453.59 g/mol
Exact Mass453.27
IUPAC Name[5-amino-1-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazol-4-yl] N-(4-tert-butylcyclohexyl)carbamate
SMILESCc1ccc(C(=O)NC2CC2)cc1-n1ncc(OC(=O)NC2CCC(C(C)(C)C)CC2)c1N
InChIInChI=1S/C25H35N5O3/c1-15-5-6-16(23(31)28-18-11-12-18)13-20(15)30-22(26)21(14-27-30)33-24(32)29-19-9-7-17(8-10-19)25(2,3)4/h5-6,13-14,17-19H,7-12,26H2,1-4H3,(H,28,31)(H,29,32)
InChIKeyXZGZSZTWQSNERQ-UHFFFAOYSA-N
XLogP4.35
TPSA111.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.59
LogP ≤ 54.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-N-(4-tert-butylcyclohexyl)-1-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazole-4-carboxamide
CID 58089045
3-[5-amino-4-(3-methoxy-4-methylbenzoyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide
CID 142992738
3-[5-amino-4-(4-methoxybenzoyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide
CID 11486097
3-[5-amino-4-(3-chlorobenzoyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide
CID 11440828
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-(1-methyl-3,4-dihydro-2H-quinoline-7-carbonyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide
CID 142313318
3-[5-amino-4-(1H-indole-5-carbonyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide
CID 142313385
3-[5-amino-4-(2,3-dihydro-1H-indole-5-carbonyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide
CID 142313359
3-[5-amino-4-[3-[[2-(3-chlorophenyl)ethylamino]methyl]benzoyl]pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide
CID 58089046
3-[5-amino-4-[1-[2-(dimethylamino)ethyl]indazole-5-carbonyl]pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide
CID 142313371
3-[5-amino-4-[3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]benzoyl]pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide
CID 11192362
3-[5-amino-4-[3-[2-(3-aminopyrrolidin-1-yl)-2-oxoethoxy]benzoyl]pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide
CID 58089036

Frequently Asked Questions

What is the IUPAC name of [5-amino-1-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazol-4-yl] N-(4-tert-butylcyclohexyl)carbamate?
The IUPAC name of [5-amino-1-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazol-4-yl] N-(4-tert-butylcyclohexyl)carbamate (CID 67319534) is [5-amino-1-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazol-4-yl] N-(4-tert-butylcyclohexyl)carbamate.
What is the SMILES notation for [5-amino-1-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazol-4-yl] N-(4-tert-butylcyclohexyl)carbamate?
The canonical SMILES for [5-amino-1-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazol-4-yl] N-(4-tert-butylcyclohexyl)carbamate is Cc1ccc(C(=O)NC2CC2)cc1-n1ncc(OC(=O)NC2CCC(C(C)(C)C)CC2)c1N.
What is the InChIKey of [5-amino-1-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazol-4-yl] N-(4-tert-butylcyclohexyl)carbamate?
The InChIKey is XZGZSZTWQSNERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N5O3/c1-15-5-6-16(23(31)28-18-11-12-18)13-20(15)30-22(26)21(14-27-30)33-24(32)29-19-9-7-17(8-10-19)25(2,3)4/h5-6,13-14,17-19H,7-12,26H2,1-4H3,(H,28,31)(H,29,32).
What are the key properties of [5-amino-1-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazol-4-yl] N-(4-tert-butylcyclohexyl)carbamate?
[5-amino-1-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazol-4-yl] N-(4-tert-butylcyclohexyl)carbamate has a molecular weight of 453.59 g/mol, XLogP of 4.35, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-1-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazol-4-yl] N-(4-tert-butylcyclohexyl)carbamate is sourced from PubChem (CID 67319534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).