cis-(1R,2S)-N-(5-ethyl-2,4-dimethylpyrazol-3-yl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide

C19H30N4O2 — CID 164638763

IUPACcis-(1R,2S)-N-(5-ethyl-2,4-dimethylpyrazol-3-yl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
SMILESCCc1nn(C)c(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)N2CCCC2)c1C
InChIInChI=1S/C19H30N4O2/c1-4-16-13(2)17(22(3)21-16)20-18(24)14-9-5-6-10-15(14)19(25)23-11-7-8-12-23/h14-15H,4-12H2,1-3H3,(H,20,24)/t14-,15+/m1/s1
InChIKeyKTIFGQARCPKYJX-CABCVRRESA-N
MW346.48 g/mol
LogP2.66
Rot. Bonds4

About cis-(1R,2S)-N-(5-ethyl-2,4-dimethylpyrazol-3-yl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide

cis-(1R,2S)-N-(5-ethyl-2,4-dimethylpyrazol-3-yl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide (PubChem CID 164638763) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is cis-(1R,2S)-N-(5-ethyl-2,4-dimethylpyrazol-3-yl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-N-(5-ethyl-2,4-dimethylpyrazol-3-yl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
PubChem CID164638763
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Namecis-(1R,2S)-N-(5-ethyl-2,4-dimethylpyrazol-3-yl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
SMILESCCc1nn(C)c(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)N2CCCC2)c1C
InChIInChI=1S/C19H30N4O2/c1-4-16-13(2)17(22(3)21-16)20-18(24)14-9-5-6-10-15(14)19(25)23-11-7-8-12-23/h14-15H,4-12H2,1-3H3,(H,20,24)/t14-,15+/m1/s1
InChIKeyKTIFGQARCPKYJX-CABCVRRESA-N
XLogP2.66
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze cis-(1R,2S)-N-(5-ethyl-2,4-dimethylpyrazol-3-yl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide with MolForge

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Related Compounds

1-(cyclohexanecarbonyl)-N-(3-ethyl-1-methylpyrazol-5-yl)azetidine-3-carboxamide
CID 128636279
(2S)-2-amino-2-cyclohexyl-N-(3,4-diethyl-1-methyl-1H-pyrazol-5-yl)acetamide hydrochloride
CID 132418130
N-cyclohexyl-N'-(3-ethyl-1,4-dimethyl-1H-pyrazol-5-yl)-N-methylsuccinamide
CID 134712989
cis-(1R,2S)-N-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 164632896
(3S)-N-(5-ethyl-2,4-dimethylpyrazol-3-yl)-1-(2-methoxyethyl)pyrrolidine-3-carboxamide
CID 164636539
trans-(1S,3R)-1-N-(4,5-diethyl-2-methylpyrazol-3-yl)-3-N-ethyl-1,2,2-trimethylcyclopentane-1,3-dicarboxamide
CID 164639492
N-(4,5-diethyl-2-methylpyrazol-3-yl)-2-[(2S)-1-ethyl-3-oxopiperazin-2-yl]acetamide
CID 164642775
N-(4-cyclobutyl-5-cyclohexyl-2-methylpyrazol-3-yl)-2-(3,3-difluorocyclobutyl)acetamide
CID 169169294
N-[4-cyclobutyl-3-(cyclohexylmethyl)-1-methylpyrazol-5-yl]-2-(3,3-difluorocyclobutyl)acetamide
CID 169169494
N-[4-cyclobutyl-2-methyl-5-(3-oxocyclobutyl)pyrazol-3-yl]-3,3-difluorocyclobutane-1-carboxamide
CID 169169535
N-(4-cyclobutyl-5-cyclohexyl-2-methylpyrazol-3-yl)-2-[(1S)-2,2,3,3-tetrafluorocyclobutyl]acetamide
CID 172633777
N-[4-cyclobutyl-3-(cyclohexylmethyl)-1-methylpyrazol-5-yl]-2-[(1R)-2,2,3,3-tetrafluorocyclobutyl]acetamide
CID 172633804

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-N-(5-ethyl-2,4-dimethylpyrazol-3-yl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-N-(5-ethyl-2,4-dimethylpyrazol-3-yl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide (CID 164638763) is cis-(1R,2S)-N-(5-ethyl-2,4-dimethylpyrazol-3-yl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-N-(5-ethyl-2,4-dimethylpyrazol-3-yl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-N-(5-ethyl-2,4-dimethylpyrazol-3-yl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide is CCc1nn(C)c(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)N2CCCC2)c1C.
What is the InChIKey of cis-(1R,2S)-N-(5-ethyl-2,4-dimethylpyrazol-3-yl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide?
The InChIKey is KTIFGQARCPKYJX-CABCVRRESA-N. The full InChI is InChI=1S/C19H30N4O2/c1-4-16-13(2)17(22(3)21-16)20-18(24)14-9-5-6-10-15(14)19(25)23-11-7-8-12-23/h14-15H,4-12H2,1-3H3,(H,20,24)/t14-,15+/m1/s1.
What are the key properties of cis-(1R,2S)-N-(5-ethyl-2,4-dimethylpyrazol-3-yl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide?
cis-(1R,2S)-N-(5-ethyl-2,4-dimethylpyrazol-3-yl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide has a molecular weight of 346.48 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-N-(5-ethyl-2,4-dimethylpyrazol-3-yl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 164638763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).