(2S)-2-cyclohexyl-N-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-2-[[methyl(propan-2-yl)carbamoyl]amino]acetamide

C24H35N5O2 — CID 148710443

IUPAC(2S)-2-cyclohexyl-N-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-2-[[methyl(propan-2-yl)carbamoyl]amino]acetamide
SMILESCc1n[nH]c(C)c1-c1ccc(NC(=O)[C@@H](NC(=O)N(C)C(C)C)C2CCCCC2)cc1
InChIInChI=1S/C24H35N5O2/c1-15(2)29(5)24(31)26-22(19-9-7-6-8-10-19)23(30)25-20-13-11-18(12-14-20)21-16(3)27-28-17(21)4/h11-15,19,22H,6-10H2,1-5H3,(H,25,30)(H,26,31)(H,27,28)/t22-/m0/s1
InChIKeyNXCXVXXODARYOV-QFIPXVFZSA-N
MW425.58 g/mol
LogP4.63
Rot. Bonds6

About (2S)-2-cyclohexyl-N-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-2-[[methyl(propan-2-yl)carbamoyl]amino]acetamide

(2S)-2-cyclohexyl-N-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-2-[[methyl(propan-2-yl)carbamoyl]amino]acetamide (PubChem CID 148710443) has the molecular formula C24H35N5O2 and a molecular weight of 425.58 g/mol. Its IUPAC name is (2S)-2-cyclohexyl-N-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-2-[[methyl(propan-2-yl)carbamoyl]amino]acetamide.

Molecular Properties

Compound Name(2S)-2-cyclohexyl-N-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-2-[[methyl(propan-2-yl)carbamoyl]amino]acetamide
PubChem CID148710443
Molecular FormulaC24H35N5O2
Molecular Weight425.58 g/mol
Exact Mass425.28
IUPAC Name(2S)-2-cyclohexyl-N-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-2-[[methyl(propan-2-yl)carbamoyl]amino]acetamide
SMILESCc1n[nH]c(C)c1-c1ccc(NC(=O)[C@@H](NC(=O)N(C)C(C)C)C2CCCCC2)cc1
InChIInChI=1S/C24H35N5O2/c1-15(2)29(5)24(31)26-22(19-9-7-6-8-10-19)23(30)25-20-13-11-18(12-14-20)21-16(3)27-28-17(21)4/h11-15,19,22H,6-10H2,1-5H3,(H,25,30)(H,26,31)(H,27,28)/t22-/m0/s1
InChIKeyNXCXVXXODARYOV-QFIPXVFZSA-N
XLogP4.63
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.58
LogP ≤ 54.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(2-oxopiperidin-1-yl)phenyl]propanamide
CID 5330950
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(2-oxo-5-phenylpyrrolidin-1-yl)phenyl]propanamide
CID 5330953
3-Aminopyrazole deriv. 27
CID 5330961
(2S)-1-(2-phenylacetyl)-N-[4-[3-[4-[[(2S)-1-(2-phenylacetyl)pyrrolidine-2-carbonyl]amino]phenyl]-1H-pyrazol-5-yl]phenyl]pyrrolidine-2-carboxamide
CID 53303349
(2R)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(2-oxoimidazolidin-1-yl)phenyl]propanamide
CID 5330957
(2S)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(2-oxoimidazolidin-1-yl)phenyl]propanamide
CID 5330958
(2S)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]propanamide
CID 5330965
3-Aminopyrazole deriv. 26
CID 91422628
CID 5330959
CID 5330959
CID 5330960
CID 5330960
1-cycloheptyl-1-[(3-phenyl-1H-pyrazol-5-yl)methyl]-3-(2,4,6-trimethylphenyl)urea
CID 10812557
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(2-oxoimidazolidin-1-yl)phenyl]propanamide
CID 11382210

Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclohexyl-N-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-2-[[methyl(propan-2-yl)carbamoyl]amino]acetamide?
The IUPAC name of (2S)-2-cyclohexyl-N-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-2-[[methyl(propan-2-yl)carbamoyl]amino]acetamide (CID 148710443) is (2S)-2-cyclohexyl-N-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-2-[[methyl(propan-2-yl)carbamoyl]amino]acetamide.
What is the SMILES notation for (2S)-2-cyclohexyl-N-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-2-[[methyl(propan-2-yl)carbamoyl]amino]acetamide?
The canonical SMILES for (2S)-2-cyclohexyl-N-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-2-[[methyl(propan-2-yl)carbamoyl]amino]acetamide is Cc1n[nH]c(C)c1-c1ccc(NC(=O)[C@@H](NC(=O)N(C)C(C)C)C2CCCCC2)cc1.
What is the InChIKey of (2S)-2-cyclohexyl-N-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-2-[[methyl(propan-2-yl)carbamoyl]amino]acetamide?
The InChIKey is NXCXVXXODARYOV-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H35N5O2/c1-15(2)29(5)24(31)26-22(19-9-7-6-8-10-19)23(30)25-20-13-11-18(12-14-20)21-16(3)27-28-17(21)4/h11-15,19,22H,6-10H2,1-5H3,(H,25,30)(H,26,31)(H,27,28)/t22-/m0/s1.
What are the key properties of (2S)-2-cyclohexyl-N-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-2-[[methyl(propan-2-yl)carbamoyl]amino]acetamide?
(2S)-2-cyclohexyl-N-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-2-[[methyl(propan-2-yl)carbamoyl]amino]acetamide has a molecular weight of 425.58 g/mol, XLogP of 4.63, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclohexyl-N-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-2-[[methyl(propan-2-yl)carbamoyl]amino]acetamide is sourced from PubChem (CID 148710443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).