(2R)-N-[4-cyano-1-(2-phenylethyl)pyrazol-5-yl]-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanamide

C27H35N5O3 — CID 70245178

IUPAC(2R)-N-[4-cyano-1-(2-phenylethyl)pyrazol-5-yl]-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanamide
SMILESN#Cc1cnn(CCc2ccccc2)c1NC(=O)[C@@H](CC(=O)N1CCOCC1)CC1CCCCC1
InChIInChI=1S/C27H35N5O3/c28-19-24-20-29-32(12-11-21-7-3-1-4-8-21)26(24)30-27(34)23(17-22-9-5-2-6-10-22)18-25(33)31-13-15-35-16-14-31/h1,3-4,7-8,20,22-23H,2,5-6,9-18H2,(H,30,34)/t23-/m1/s1
InChIKeyWNCVOBSRZNXEGP-HSZRJFAPSA-N
MW477.61 g/mol
LogP3.77
Rot. Bonds9

About (2R)-N-[4-cyano-1-(2-phenylethyl)pyrazol-5-yl]-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanamide

(2R)-N-[4-cyano-1-(2-phenylethyl)pyrazol-5-yl]-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanamide (PubChem CID 70245178) has the molecular formula C27H35N5O3 and a molecular weight of 477.61 g/mol. Its IUPAC name is (2R)-N-[4-cyano-1-(2-phenylethyl)pyrazol-5-yl]-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanamide.

Molecular Properties

Compound Name(2R)-N-[4-cyano-1-(2-phenylethyl)pyrazol-5-yl]-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanamide
PubChem CID70245178
Molecular FormulaC27H35N5O3
Molecular Weight477.61 g/mol
Exact Mass477.27
IUPAC Name(2R)-N-[4-cyano-1-(2-phenylethyl)pyrazol-5-yl]-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanamide
SMILESN#Cc1cnn(CCc2ccccc2)c1NC(=O)[C@@H](CC(=O)N1CCOCC1)CC1CCCCC1
InChIInChI=1S/C27H35N5O3/c28-19-24-20-29-32(12-11-21-7-3-1-4-8-21)26(24)30-27(34)23(17-22-9-5-2-6-10-22)18-25(33)31-13-15-35-16-14-31/h1,3-4,7-8,20,22-23H,2,5-6,9-18H2,(H,30,34)/t23-/m1/s1
InChIKeyWNCVOBSRZNXEGP-HSZRJFAPSA-N
XLogP3.77
TPSA100.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.61
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-cyano-1-(2-phenylethyl)pyrrolidin-3-yl]-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanamide
CID 18768952
N-[4-[benzyl(methyl)amino]-3-cyano-3-phenylbutyl]-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanamide
CID 70067059
(2R)-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxo-N-[(2S)-4-phenyl-1-[4-(trifluoromethoxy)anilino]butan-2-yl]butanamide
CID 11433280
(2S)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-4-morpholin-4-yl-4-oxobutanamide
CID 22845082
2-(cyclohexylmethyl)-N-(2-methyl-4-oxooxolan-2-yl)-4-morpholin-4-yl-4-oxobutanamide
CID 91319141
(3S)-3-amino-1-morpholin-4-yl-5-phenylpentan-1-one
CID 59325114
N-[(2S)-1-amino-1-oxo-3-piperidin-1-ylpropan-2-yl]-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanamide
CID 59972960
(2R)-N-[(3S)-3-cyano-1-[(1R,2R)-2-methylcyclohexyl]pyrrolidin-3-yl]-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanamide
CID 20601567
cis-(1S,2R)-1-[[(2R)-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanoyl]amino]-2-ethylcyclopropane-1-carboxamide
CID 59066412
(2R)-2-(cyclohexylmethyl)-N-[(3R)-2-methyl-4-oxooxolan-3-yl]-4-morpholin-4-yl-4-oxobutanamide
CID 91420232
(2R)-2-(cyclohexylmethyl)-N-[(3S)-2-methyl-4-oxooxolan-3-yl]-4-morpholin-4-yl-4-oxobutanamide
CID 91189213
(1-cyano-2-phenylmethoxyethyl) N-[(2R)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl]carbamate
CID 67300980

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-cyano-1-(2-phenylethyl)pyrazol-5-yl]-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanamide?
The IUPAC name of (2R)-N-[4-cyano-1-(2-phenylethyl)pyrazol-5-yl]-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanamide (CID 70245178) is (2R)-N-[4-cyano-1-(2-phenylethyl)pyrazol-5-yl]-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanamide.
What is the SMILES notation for (2R)-N-[4-cyano-1-(2-phenylethyl)pyrazol-5-yl]-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanamide?
The canonical SMILES for (2R)-N-[4-cyano-1-(2-phenylethyl)pyrazol-5-yl]-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanamide is N#Cc1cnn(CCc2ccccc2)c1NC(=O)[C@@H](CC(=O)N1CCOCC1)CC1CCCCC1.
What is the InChIKey of (2R)-N-[4-cyano-1-(2-phenylethyl)pyrazol-5-yl]-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanamide?
The InChIKey is WNCVOBSRZNXEGP-HSZRJFAPSA-N. The full InChI is InChI=1S/C27H35N5O3/c28-19-24-20-29-32(12-11-21-7-3-1-4-8-21)26(24)30-27(34)23(17-22-9-5-2-6-10-22)18-25(33)31-13-15-35-16-14-31/h1,3-4,7-8,20,22-23H,2,5-6,9-18H2,(H,30,34)/t23-/m1/s1.
What are the key properties of (2R)-N-[4-cyano-1-(2-phenylethyl)pyrazol-5-yl]-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanamide?
(2R)-N-[4-cyano-1-(2-phenylethyl)pyrazol-5-yl]-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanamide has a molecular weight of 477.61 g/mol, XLogP of 3.77, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-cyano-1-(2-phenylethyl)pyrazol-5-yl]-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanamide is sourced from PubChem (CID 70245178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).