3-(1-methylpyrazol-4-yl)-N-[1-(trifluoromethyl)cyclohexyl]pyrrolidine-1-carboxamide

C16H23F3N4O — CID 136564061

IUPAC3-(1-methylpyrazol-4-yl)-N-[1-(trifluoromethyl)cyclohexyl]pyrrolidine-1-carboxamide
SMILESCn1cc(C2CCN(C(=O)NC3(C(F)(F)F)CCCCC3)C2)cn1
InChIInChI=1S/C16H23F3N4O/c1-22-10-13(9-20-22)12-5-8-23(11-12)14(24)21-15(16(17,18)19)6-3-2-4-7-15/h9-10,12H,2-8,11H2,1H3,(H,21,24)
InChIKeyQMRNWRYAJNCHCH-UHFFFAOYSA-N
MW344.38 g/mol
LogP3.18
Rot. Bonds2

About 3-(1-methylpyrazol-4-yl)-N-[1-(trifluoromethyl)cyclohexyl]pyrrolidine-1-carboxamide

3-(1-methylpyrazol-4-yl)-N-[1-(trifluoromethyl)cyclohexyl]pyrrolidine-1-carboxamide (PubChem CID 136564061) has the molecular formula C16H23F3N4O and a molecular weight of 344.38 g/mol. Its IUPAC name is 3-(1-methylpyrazol-4-yl)-N-[1-(trifluoromethyl)cyclohexyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(1-methylpyrazol-4-yl)-N-[1-(trifluoromethyl)cyclohexyl]pyrrolidine-1-carboxamide
PubChem CID136564061
Molecular FormulaC16H23F3N4O
Molecular Weight344.38 g/mol
Exact Mass344.18
IUPAC Name3-(1-methylpyrazol-4-yl)-N-[1-(trifluoromethyl)cyclohexyl]pyrrolidine-1-carboxamide
SMILESCn1cc(C2CCN(C(=O)NC3(C(F)(F)F)CCCCC3)C2)cn1
InChIInChI=1S/C16H23F3N4O/c1-22-10-13(9-20-22)12-5-8-23(11-12)14(24)21-15(16(17,18)19)6-3-2-4-7-15/h9-10,12H,2-8,11H2,1H3,(H,21,24)
InChIKeyQMRNWRYAJNCHCH-UHFFFAOYSA-N
XLogP3.18
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-cyclobutylcyclobutyl)methyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide
CID 128633676
[4-fluoro-2-(trifluoromethyl)phenyl]-[(3S)-3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 124571570
N-[(2-hydroxy-1-methylcyclohexyl)methyl]-N'-methyl-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide
CID 119157651
N-(4-fluoro-2-methoxyphenyl)-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide
CID 136526239
(3S)-N-[(5-chlorothiophen-2-yl)methyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide
CID 124606796
N-[cyclobutyl(cyclopropyl)methyl]-4-(1-methylpyrazol-4-yl)piperidine-1-carboxamide
CID 128635077
5-[[(3R)-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]amino]pyridine-2-carboxamide
CID 124600978
N'-methyl-3-(1-methylpyrazol-4-yl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidine-1-carboximidamide
CID 119143792
2-amino-1-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-2-phenylpropan-1-one
CID 120597079
(3R)-N-(5-fluoro-4-methoxy-2-methylphenyl)-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide
CID 124618863
(3S)-N-(4-acetyl-3-methylphenyl)-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide
CID 124568170
methyl 5-[[(3R)-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]amino]pyridine-3-carboxylate
CID 124615102

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-4-yl)-N-[1-(trifluoromethyl)cyclohexyl]pyrrolidine-1-carboxamide?
The IUPAC name of 3-(1-methylpyrazol-4-yl)-N-[1-(trifluoromethyl)cyclohexyl]pyrrolidine-1-carboxamide (CID 136564061) is 3-(1-methylpyrazol-4-yl)-N-[1-(trifluoromethyl)cyclohexyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(1-methylpyrazol-4-yl)-N-[1-(trifluoromethyl)cyclohexyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 3-(1-methylpyrazol-4-yl)-N-[1-(trifluoromethyl)cyclohexyl]pyrrolidine-1-carboxamide is Cn1cc(C2CCN(C(=O)NC3(C(F)(F)F)CCCCC3)C2)cn1.
What is the InChIKey of 3-(1-methylpyrazol-4-yl)-N-[1-(trifluoromethyl)cyclohexyl]pyrrolidine-1-carboxamide?
The InChIKey is QMRNWRYAJNCHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N4O/c1-22-10-13(9-20-22)12-5-8-23(11-12)14(24)21-15(16(17,18)19)6-3-2-4-7-15/h9-10,12H,2-8,11H2,1H3,(H,21,24).
What are the key properties of 3-(1-methylpyrazol-4-yl)-N-[1-(trifluoromethyl)cyclohexyl]pyrrolidine-1-carboxamide?
3-(1-methylpyrazol-4-yl)-N-[1-(trifluoromethyl)cyclohexyl]pyrrolidine-1-carboxamide has a molecular weight of 344.38 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-4-yl)-N-[1-(trifluoromethyl)cyclohexyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 136564061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).