N-(3-cyclohexyl-1-methylpyrazol-4-yl)-3,3-difluoropyrrolidine-1-carboxamide

C15H22F2N4O — CID 128636917

IUPACN-(3-cyclohexyl-1-methylpyrazol-4-yl)-3,3-difluoropyrrolidine-1-carboxamide
SMILESCn1cc(NC(=O)N2CCC(F)(F)C2)c(C2CCCCC2)n1
InChIInChI=1S/C15H22F2N4O/c1-20-9-12(13(19-20)11-5-3-2-4-6-11)18-14(22)21-8-7-15(16,17)10-21/h9,11H,2-8,10H2,1H3,(H,18,22)
InChIKeyJLIJBPANHQCZRZ-UHFFFAOYSA-N
MW312.36 g/mol
LogP3.34
Rot. Bonds2

About N-(3-cyclohexyl-1-methylpyrazol-4-yl)-3,3-difluoropyrrolidine-1-carboxamide

N-(3-cyclohexyl-1-methylpyrazol-4-yl)-3,3-difluoropyrrolidine-1-carboxamide (PubChem CID 128636917) has the molecular formula C15H22F2N4O and a molecular weight of 312.36 g/mol. Its IUPAC name is N-(3-cyclohexyl-1-methylpyrazol-4-yl)-3,3-difluoropyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-cyclohexyl-1-methylpyrazol-4-yl)-3,3-difluoropyrrolidine-1-carboxamide
PubChem CID128636917
Molecular FormulaC15H22F2N4O
Molecular Weight312.36 g/mol
Exact Mass312.18
IUPAC NameN-(3-cyclohexyl-1-methylpyrazol-4-yl)-3,3-difluoropyrrolidine-1-carboxamide
SMILESCn1cc(NC(=O)N2CCC(F)(F)C2)c(C2CCCCC2)n1
InChIInChI=1S/C15H22F2N4O/c1-20-9-12(13(19-20)11-5-3-2-4-6-11)18-14(22)21-8-7-15(16,17)10-21/h9,11H,2-8,10H2,1H3,(H,18,22)
InChIKeyJLIJBPANHQCZRZ-UHFFFAOYSA-N
XLogP3.34
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.36
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-Fluoroethyl)-3-(1-methyl-3-propan-2-ylpyrazol-4-yl)urea
CID 132384581
1-[2-(3,3-Dimethylpyrrolidin-1-yl)ethyl]-3-(1-methyl-3-propan-2-ylpyrazol-4-yl)urea
CID 138025189
N-(1-methyl-3-propan-2-ylpyrazol-4-yl)-4-[(2-oxoimidazolidin-1-yl)methyl]piperidine-1-carboxamide
CID 138025197
1-(3-ethyl-1-methylpyrazol-4-yl)-3-[[(1S,2S)-2-(trifluoromethyl)cyclopropyl]methyl]urea
CID 164629892
(5S)-N-(1-butyl-5-propan-2-ylpyrazol-4-yl)-1,7-diazaspiro[4.4]nonane-1-carboxamide
CID 164630927
1-(3-ethyl-1-methylpyrazol-4-yl)-3-[2-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]ethyl]urea
CID 164633933
N-[1-[(1S)-1-cyclopropylethyl]pyrazol-4-yl]-4-(1-methylpyrazol-3-yl)piperidine-1-carboxamide
CID 164637945
1-[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]-3-[(4S)-spiro[4.5]decan-4-yl]urea
CID 164638754
(1R,5S)-3-[2-[(1,3-dimethylpyrazol-4-yl)amino]-5-methyl-1,2-dihydropyrimidin-6-yl]-N-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxamide
CID 164075286
1-[1-(1,5-Dimethylpyrazol-4-yl)ethyl]-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]urea
CID 56793020
N-[3-(5-cyclopropyl-1H-pyrazol-1-yl)propyl]-N'-[1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]urea
CID 72935380
N-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl]-1-(2,2-difluoroethyl)pyrazol-4-amine
CID 75503488

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclohexyl-1-methylpyrazol-4-yl)-3,3-difluoropyrrolidine-1-carboxamide?
The IUPAC name of N-(3-cyclohexyl-1-methylpyrazol-4-yl)-3,3-difluoropyrrolidine-1-carboxamide (CID 128636917) is N-(3-cyclohexyl-1-methylpyrazol-4-yl)-3,3-difluoropyrrolidine-1-carboxamide.
What is the SMILES notation for N-(3-cyclohexyl-1-methylpyrazol-4-yl)-3,3-difluoropyrrolidine-1-carboxamide?
The canonical SMILES for N-(3-cyclohexyl-1-methylpyrazol-4-yl)-3,3-difluoropyrrolidine-1-carboxamide is Cn1cc(NC(=O)N2CCC(F)(F)C2)c(C2CCCCC2)n1.
What is the InChIKey of N-(3-cyclohexyl-1-methylpyrazol-4-yl)-3,3-difluoropyrrolidine-1-carboxamide?
The InChIKey is JLIJBPANHQCZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N4O/c1-20-9-12(13(19-20)11-5-3-2-4-6-11)18-14(22)21-8-7-15(16,17)10-21/h9,11H,2-8,10H2,1H3,(H,18,22).
What are the key properties of N-(3-cyclohexyl-1-methylpyrazol-4-yl)-3,3-difluoropyrrolidine-1-carboxamide?
N-(3-cyclohexyl-1-methylpyrazol-4-yl)-3,3-difluoropyrrolidine-1-carboxamide has a molecular weight of 312.36 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexyl-1-methylpyrazol-4-yl)-3,3-difluoropyrrolidine-1-carboxamide is sourced from PubChem (CID 128636917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).