N-[(1S)-1-cyclohexyl-2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-2-oxoethyl]-2-(2-hydroxyethyl)pyrrolidine-1-carboxamide

C26H37N5O3 — CID 146832842

IUPACN-[(1S)-1-cyclohexyl-2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-2-oxoethyl]-2-(2-hydroxyethyl)pyrrolidine-1-carboxamide
SMILESCc1n[nH]c(C)c1-c1ccc(NC(=O)[C@@H](NC(=O)N2CCCC2CCO)C2CCCCC2)cc1
InChIInChI=1S/C26H37N5O3/c1-17-23(18(2)30-29-17)19-10-12-21(13-11-19)27-25(33)24(20-7-4-3-5-8-20)28-26(34)31-15-6-9-22(31)14-16-32/h10-13,20,22,24,32H,3-9,14-16H2,1-2H3,(H,27,33)(H,28,34)(H,29,30)/t22?,24-/m0/s1
InChIKeySENNUNKHWGOXKT-GITCGBDTSA-N
MW467.61 g/mol
LogP4.14
Rot. Bonds7

About N-[(1S)-1-cyclohexyl-2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-2-oxoethyl]-2-(2-hydroxyethyl)pyrrolidine-1-carboxamide

N-[(1S)-1-cyclohexyl-2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-2-oxoethyl]-2-(2-hydroxyethyl)pyrrolidine-1-carboxamide (PubChem CID 146832842) has the molecular formula C26H37N5O3 and a molecular weight of 467.61 g/mol. Its IUPAC name is N-[(1S)-1-cyclohexyl-2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-2-oxoethyl]-2-(2-hydroxyethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-cyclohexyl-2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-2-oxoethyl]-2-(2-hydroxyethyl)pyrrolidine-1-carboxamide
PubChem CID146832842
Molecular FormulaC26H37N5O3
Molecular Weight467.61 g/mol
Exact Mass467.29
IUPAC NameN-[(1S)-1-cyclohexyl-2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-2-oxoethyl]-2-(2-hydroxyethyl)pyrrolidine-1-carboxamide
SMILESCc1n[nH]c(C)c1-c1ccc(NC(=O)[C@@H](NC(=O)N2CCCC2CCO)C2CCCCC2)cc1
InChIInChI=1S/C26H37N5O3/c1-17-23(18(2)30-29-17)19-10-12-21(13-11-19)27-25(33)24(20-7-4-3-5-8-20)28-26(34)31-15-6-9-22(31)14-16-32/h10-13,20,22,24,32H,3-9,14-16H2,1-2H3,(H,27,33)(H,28,34)(H,29,30)/t22?,24-/m0/s1
InChIKeySENNUNKHWGOXKT-GITCGBDTSA-N
XLogP4.14
TPSA110.35 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.61
LogP ≤ 54.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 156779451
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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclohexyl-2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-2-oxoethyl]-2-(2-hydroxyethyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-[(1S)-1-cyclohexyl-2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-2-oxoethyl]-2-(2-hydroxyethyl)pyrrolidine-1-carboxamide (CID 146832842) is N-[(1S)-1-cyclohexyl-2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-2-oxoethyl]-2-(2-hydroxyethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[(1S)-1-cyclohexyl-2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-2-oxoethyl]-2-(2-hydroxyethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-[(1S)-1-cyclohexyl-2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-2-oxoethyl]-2-(2-hydroxyethyl)pyrrolidine-1-carboxamide is Cc1n[nH]c(C)c1-c1ccc(NC(=O)[C@@H](NC(=O)N2CCCC2CCO)C2CCCCC2)cc1.
What is the InChIKey of N-[(1S)-1-cyclohexyl-2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-2-oxoethyl]-2-(2-hydroxyethyl)pyrrolidine-1-carboxamide?
The InChIKey is SENNUNKHWGOXKT-GITCGBDTSA-N. The full InChI is InChI=1S/C26H37N5O3/c1-17-23(18(2)30-29-17)19-10-12-21(13-11-19)27-25(33)24(20-7-4-3-5-8-20)28-26(34)31-15-6-9-22(31)14-16-32/h10-13,20,22,24,32H,3-9,14-16H2,1-2H3,(H,27,33)(H,28,34)(H,29,30)/t22?,24-/m0/s1.
What are the key properties of N-[(1S)-1-cyclohexyl-2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-2-oxoethyl]-2-(2-hydroxyethyl)pyrrolidine-1-carboxamide?
N-[(1S)-1-cyclohexyl-2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-2-oxoethyl]-2-(2-hydroxyethyl)pyrrolidine-1-carboxamide has a molecular weight of 467.61 g/mol, XLogP of 4.14, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyclohexyl-2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-2-oxoethyl]-2-(2-hydroxyethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 146832842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).