5-amino-N-(1-cyclohexylethyl)-1-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazole-4-carboxamide;2-morpholin-4-ylethanamine

C29H45N7O3 — CID 172800412

IUPAC5-amino-N-(1-cyclohexylethyl)-1-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazole-4-carboxamide;2-morpholin-4-ylethanamine
SMILESCc1ccc(C(=O)NC2CC2)cc1-n1ncc(C(=O)NC(C)C2CCCCC2)c1N.NCCN1CCOCC1
InChIInChI=1S/C23H31N5O2.C6H14N2O/c1-14-8-9-17(22(29)27-18-10-11-18)12-20(14)28-21(24)19(13-25-28)23(30)26-15(2)16-6-4-3-5-7-16;7-1-2-8-3-5-9-6-4-8/h8-9,12-13,15-16,18H,3-7,10-11,24H2,1-2H3,(H,26,30)(H,27,29);1-7H2
InChIKeyQUAMVTZORFIWQM-UHFFFAOYSA-N
MW539.73 g/mol
LogP2.63
Rot. Bonds8

About 5-amino-N-(1-cyclohexylethyl)-1-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazole-4-carboxamide;2-morpholin-4-ylethanamine

5-amino-N-(1-cyclohexylethyl)-1-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazole-4-carboxamide;2-morpholin-4-ylethanamine (PubChem CID 172800412) has the molecular formula C29H45N7O3 and a molecular weight of 539.73 g/mol. Its IUPAC name is 5-amino-N-(1-cyclohexylethyl)-1-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazole-4-carboxamide;2-morpholin-4-ylethanamine.

Molecular Properties

Compound Name5-amino-N-(1-cyclohexylethyl)-1-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazole-4-carboxamide;2-morpholin-4-ylethanamine
PubChem CID172800412
Molecular FormulaC29H45N7O3
Molecular Weight539.73 g/mol
Exact Mass539.36
IUPAC Name5-amino-N-(1-cyclohexylethyl)-1-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazole-4-carboxamide;2-morpholin-4-ylethanamine
SMILESCc1ccc(C(=O)NC2CC2)cc1-n1ncc(C(=O)NC(C)C2CCCCC2)c1N.NCCN1CCOCC1
InChIInChI=1S/C23H31N5O2.C6H14N2O/c1-14-8-9-17(22(29)27-18-10-11-18)12-20(14)28-21(24)19(13-25-28)23(30)26-15(2)16-6-4-3-5-7-16;7-1-2-8-3-5-9-6-4-8/h8-9,12-13,15-16,18H,3-7,10-11,24H2,1-2H3,(H,26,30)(H,27,29);1-7H2
InChIKeyQUAMVTZORFIWQM-UHFFFAOYSA-N
XLogP2.63
TPSA140.53 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500539.73
LogP ≤ 52.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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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-(1-methyl-3,4-dihydro-2H-quinoline-7-carbonyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide
CID 142313318
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-(4-methoxybenzoyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide
CID 11486097
3-[5-amino-4-(3-methoxy-4-methylbenzoyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide
CID 142992738
3-[5-amino-4-(3-chlorobenzoyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide
CID 11440828
3-[5-amino-4-[1-[2-(dimethylamino)ethyl]indazole-5-carbonyl]pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide
CID 142313371
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-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-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]benzoyl]pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide
CID 11192362
N-cyclopentyl-4-methyl-3-[2-(2-morpholin-4-ylethylamino)quinazolin-6-yl]benzamide
CID 58829888

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(1-cyclohexylethyl)-1-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazole-4-carboxamide;2-morpholin-4-ylethanamine?
The IUPAC name of 5-amino-N-(1-cyclohexylethyl)-1-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazole-4-carboxamide;2-morpholin-4-ylethanamine (CID 172800412) is 5-amino-N-(1-cyclohexylethyl)-1-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazole-4-carboxamide;2-morpholin-4-ylethanamine.
What is the SMILES notation for 5-amino-N-(1-cyclohexylethyl)-1-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazole-4-carboxamide;2-morpholin-4-ylethanamine?
The canonical SMILES for 5-amino-N-(1-cyclohexylethyl)-1-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazole-4-carboxamide;2-morpholin-4-ylethanamine is Cc1ccc(C(=O)NC2CC2)cc1-n1ncc(C(=O)NC(C)C2CCCCC2)c1N.NCCN1CCOCC1.
What is the InChIKey of 5-amino-N-(1-cyclohexylethyl)-1-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazole-4-carboxamide;2-morpholin-4-ylethanamine?
The InChIKey is QUAMVTZORFIWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O2.C6H14N2O/c1-14-8-9-17(22(29)27-18-10-11-18)12-20(14)28-21(24)19(13-25-28)23(30)26-15(2)16-6-4-3-5-7-16;7-1-2-8-3-5-9-6-4-8/h8-9,12-13,15-16,18H,3-7,10-11,24H2,1-2H3,(H,26,30)(H,27,29);1-7H2.
What are the key properties of 5-amino-N-(1-cyclohexylethyl)-1-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazole-4-carboxamide;2-morpholin-4-ylethanamine?
5-amino-N-(1-cyclohexylethyl)-1-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazole-4-carboxamide;2-morpholin-4-ylethanamine has a molecular weight of 539.73 g/mol, XLogP of 2.63, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(1-cyclohexylethyl)-1-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazole-4-carboxamide;2-morpholin-4-ylethanamine is sourced from PubChem (CID 172800412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).