1-[2-(cyclohexylamino)-2-oxoethyl]-N-methyl-N-piperidin-4-ylpyrazole-4-carboxamide

C18H29N5O2 — CID 119443299

IUPAC1-[2-(cyclohexylamino)-2-oxoethyl]-N-methyl-N-piperidin-4-ylpyrazole-4-carboxamide
SMILESCN(C(=O)c1cnn(CC(=O)NC2CCCCC2)c1)C1CCNCC1
InChIInChI=1S/C18H29N5O2/c1-22(16-7-9-19-10-8-16)18(25)14-11-20-23(12-14)13-17(24)21-15-5-3-2-4-6-15/h11-12,15-16,19H,2-10,13H2,1H3,(H,21,24)
InChIKeyWBXIIRSKOCVCNS-UHFFFAOYSA-N
MW347.46 g/mol
LogP1.16
Rot. Bonds5

About 1-[2-(cyclohexylamino)-2-oxoethyl]-N-methyl-N-piperidin-4-ylpyrazole-4-carboxamide

1-[2-(cyclohexylamino)-2-oxoethyl]-N-methyl-N-piperidin-4-ylpyrazole-4-carboxamide (PubChem CID 119443299) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is 1-[2-(cyclohexylamino)-2-oxoethyl]-N-methyl-N-piperidin-4-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[2-(cyclohexylamino)-2-oxoethyl]-N-methyl-N-piperidin-4-ylpyrazole-4-carboxamide
PubChem CID119443299
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC Name1-[2-(cyclohexylamino)-2-oxoethyl]-N-methyl-N-piperidin-4-ylpyrazole-4-carboxamide
SMILESCN(C(=O)c1cnn(CC(=O)NC2CCCCC2)c1)C1CCNCC1
InChIInChI=1S/C18H29N5O2/c1-22(16-7-9-19-10-8-16)18(25)14-11-20-23(12-14)13-17(24)21-15-5-3-2-4-6-15/h11-12,15-16,19H,2-10,13H2,1H3,(H,21,24)
InChIKeyWBXIIRSKOCVCNS-UHFFFAOYSA-N
XLogP1.16
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[2-(cyclohexylamino)-2-oxoethyl]-N-methyl-N-piperidin-4-ylpyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(cyclooctylamino)-2-oxoethyl]pyrazole-4-carboxylic acid
CID 19622340
1-[2-(cyclohexylamino)-2-oxoethyl]-N-(2-piperazin-1-ylethyl)pyrazole-4-carboxamide;hydrochloride
CID 119447622
1-[2-(cyclohexylamino)-2-oxoethyl]-N-[2-(methylamino)ethyl]pyrazole-4-carboxamide
CID 119502724
1-[(4-methoxyphenyl)methyl]-N-methyl-N-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 119443218
2-[[1-[2-(cyclohexylamino)-2-oxoethyl]pyrazole-4-carbonyl]amino]-3-methylbutanoic acid
CID 119348304
N-methyl-1-phenyl-N-piperidin-4-ylpyrazole-4-carboxamide
CID 43602271
(1-cyclopropylcyclopropyl) 1-[2-(cyclohexylamino)-2-oxoethyl]pyrazole-4-carboxylate
CID 71974818
2-[4-(cyclooctylcarbamoyl)pyrazol-1-yl]acetic acid
CID 19621986
4-[[1-[2-(cyclohexylamino)-2-oxoethyl]pyrazole-4-carbonyl]amino]pentanoic acid
CID 120534951
2-[4-[4-(aminomethyl)piperidine-1-carbonyl]pyrazol-1-yl]-N-cyclohexylacetamide
CID 119423613
(2R)-1-[1-[2-(cyclohexylamino)-2-oxoethyl]pyrazole-4-carbonyl]piperidine-2-carboxylic acid
CID 120537481
(2R)-2-[[1-[2-(cyclohexylamino)-2-oxoethyl]pyrazole-4-carbonyl]amino]-2-phenylacetic acid
CID 119367660

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclohexylamino)-2-oxoethyl]-N-methyl-N-piperidin-4-ylpyrazole-4-carboxamide?
The IUPAC name of 1-[2-(cyclohexylamino)-2-oxoethyl]-N-methyl-N-piperidin-4-ylpyrazole-4-carboxamide (CID 119443299) is 1-[2-(cyclohexylamino)-2-oxoethyl]-N-methyl-N-piperidin-4-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1-[2-(cyclohexylamino)-2-oxoethyl]-N-methyl-N-piperidin-4-ylpyrazole-4-carboxamide?
The canonical SMILES for 1-[2-(cyclohexylamino)-2-oxoethyl]-N-methyl-N-piperidin-4-ylpyrazole-4-carboxamide is CN(C(=O)c1cnn(CC(=O)NC2CCCCC2)c1)C1CCNCC1.
What is the InChIKey of 1-[2-(cyclohexylamino)-2-oxoethyl]-N-methyl-N-piperidin-4-ylpyrazole-4-carboxamide?
The InChIKey is WBXIIRSKOCVCNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-22(16-7-9-19-10-8-16)18(25)14-11-20-23(12-14)13-17(24)21-15-5-3-2-4-6-15/h11-12,15-16,19H,2-10,13H2,1H3,(H,21,24).
What are the key properties of 1-[2-(cyclohexylamino)-2-oxoethyl]-N-methyl-N-piperidin-4-ylpyrazole-4-carboxamide?
1-[2-(cyclohexylamino)-2-oxoethyl]-N-methyl-N-piperidin-4-ylpyrazole-4-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclohexylamino)-2-oxoethyl]-N-methyl-N-piperidin-4-ylpyrazole-4-carboxamide is sourced from PubChem (CID 119443299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).