3-cyclopentyl-N,1-dimethyl-N-[3-(prop-2-enoylamino)propyl]pyrazole-4-carboxamide

C17H26N4O2 — CID 166424508

IUPAC3-cyclopentyl-N,1-dimethyl-N-[3-(prop-2-enoylamino)propyl]pyrazole-4-carboxamide
SMILESC=CC(=O)NCCCN(C)C(=O)c1cn(C)nc1C1CCCC1
InChIInChI=1S/C17H26N4O2/c1-4-15(22)18-10-7-11-20(2)17(23)14-12-21(3)19-16(14)13-8-5-6-9-13/h4,12-13H,1,5-11H2,2-3H3,(H,18,22)
InChIKeyONQAQGFKBUGOCI-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.84
Rot. Bonds7

About 3-cyclopentyl-N,1-dimethyl-N-[3-(prop-2-enoylamino)propyl]pyrazole-4-carboxamide

3-cyclopentyl-N,1-dimethyl-N-[3-(prop-2-enoylamino)propyl]pyrazole-4-carboxamide (PubChem CID 166424508) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 3-cyclopentyl-N,1-dimethyl-N-[3-(prop-2-enoylamino)propyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-cyclopentyl-N,1-dimethyl-N-[3-(prop-2-enoylamino)propyl]pyrazole-4-carboxamide
PubChem CID166424508
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name3-cyclopentyl-N,1-dimethyl-N-[3-(prop-2-enoylamino)propyl]pyrazole-4-carboxamide
SMILESC=CC(=O)NCCCN(C)C(=O)c1cn(C)nc1C1CCCC1
InChIInChI=1S/C17H26N4O2/c1-4-15(22)18-10-7-11-20(2)17(23)14-12-21(3)19-16(14)13-8-5-6-9-13/h4,12-13H,1,5-11H2,2-3H3,(H,18,22)
InChIKeyONQAQGFKBUGOCI-UHFFFAOYSA-N
XLogP1.84
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

7-[(3-cyclohexyl-1-methylpyrazole-4-carbonyl)amino]heptanoic acid
CID 119350736
1-(3-cyclopropyl-1-methylpyrazol-4-yl)ethanone
CID 83873172
ethyl 3-cyclohexyl-1-methylpyrazole-4-carboxylate
CID 146167576
N-[3-(1-methyl-1,2,4-triazol-3-yl)propyl]prop-2-enamide
CID 139021125
3-cyclopropyl-N,1-dimethyl-N-pyridazin-4-ylpyrazole-4-carboxamide
CID 59607144
3-[(3-cyclohexyl-1-methylpyrazole-4-carbonyl)amino]butanoic acid
CID 119347771
N,N-dimethyl-1-[3-(prop-2-enoylamino)propyl]pyrrolidine-2-carboxamide
CID 146106973
2-chloro-N-(3-cyclobutyl-1-methylpyrazol-4-yl)acetamide
CID 166410231
(3-cyclopentyl-1-methylpyrazol-4-yl)-(6,7-dihydro-5H-tetrazolo[1,5-a]pyrimidin-4-yl)methanone
CID 154786700
(3-cyclohexyl-1-methylpyrazol-4-yl)-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95292675
N-[3-(dimethylamino)propyl]prop-2-enamide;prop-2-enamide;hydrochloride
CID 173080700
N-[4-(prop-2-enoylamino)butyl]prop-2-enamide
CID 11542941

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N,1-dimethyl-N-[3-(prop-2-enoylamino)propyl]pyrazole-4-carboxamide?
The IUPAC name of 3-cyclopentyl-N,1-dimethyl-N-[3-(prop-2-enoylamino)propyl]pyrazole-4-carboxamide (CID 166424508) is 3-cyclopentyl-N,1-dimethyl-N-[3-(prop-2-enoylamino)propyl]pyrazole-4-carboxamide.
What is the SMILES notation for 3-cyclopentyl-N,1-dimethyl-N-[3-(prop-2-enoylamino)propyl]pyrazole-4-carboxamide?
The canonical SMILES for 3-cyclopentyl-N,1-dimethyl-N-[3-(prop-2-enoylamino)propyl]pyrazole-4-carboxamide is C=CC(=O)NCCCN(C)C(=O)c1cn(C)nc1C1CCCC1.
What is the InChIKey of 3-cyclopentyl-N,1-dimethyl-N-[3-(prop-2-enoylamino)propyl]pyrazole-4-carboxamide?
The InChIKey is ONQAQGFKBUGOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-4-15(22)18-10-7-11-20(2)17(23)14-12-21(3)19-16(14)13-8-5-6-9-13/h4,12-13H,1,5-11H2,2-3H3,(H,18,22).
What are the key properties of 3-cyclopentyl-N,1-dimethyl-N-[3-(prop-2-enoylamino)propyl]pyrazole-4-carboxamide?
3-cyclopentyl-N,1-dimethyl-N-[3-(prop-2-enoylamino)propyl]pyrazole-4-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 1.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N,1-dimethyl-N-[3-(prop-2-enoylamino)propyl]pyrazole-4-carboxamide is sourced from PubChem (CID 166424508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).