(5-cyclohexyl-1H-pyrazol-4-yl)-[(2R)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone

C17H22N4OS — CID 97110192

IUPAC(5-cyclohexyl-1H-pyrazol-4-yl)-[(2R)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone
SMILESO=C(c1cn[nH]c1C1CCCCC1)N1CCC[C@@H]1c1nccs1
InChIInChI=1S/C17H22N4OS/c22-17(21-9-4-7-14(21)16-18-8-10-23-16)13-11-19-20-15(13)12-5-2-1-3-6-12/h8,10-12,14H,1-7,9H2,(H,19,20)/t14-/m1/s1
InChIKeyJANVYFWUBHJQNU-CQSZACIVSA-N
MW330.46 g/mol
LogP3.89
Rot. Bonds3

About (5-cyclohexyl-1H-pyrazol-4-yl)-[(2R)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone

(5-cyclohexyl-1H-pyrazol-4-yl)-[(2R)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone (PubChem CID 97110192) has the molecular formula C17H22N4OS and a molecular weight of 330.46 g/mol. Its IUPAC name is (5-cyclohexyl-1H-pyrazol-4-yl)-[(2R)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(5-cyclohexyl-1H-pyrazol-4-yl)-[(2R)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone
PubChem CID97110192
Molecular FormulaC17H22N4OS
Molecular Weight330.46 g/mol
Exact Mass330.15
IUPAC Name(5-cyclohexyl-1H-pyrazol-4-yl)-[(2R)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone
SMILESO=C(c1cn[nH]c1C1CCCCC1)N1CCC[C@@H]1c1nccs1
InChIInChI=1S/C17H22N4OS/c22-17(21-9-4-7-14(21)16-18-8-10-23-16)13-11-19-20-15(13)12-5-2-1-3-6-12/h8,10-12,14H,1-7,9H2,(H,19,20)/t14-/m1/s1
InChIKeyJANVYFWUBHJQNU-CQSZACIVSA-N
XLogP3.89
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-cyclohexyl-1H-pyrazol-4-yl)-(2-pyridin-3-ylpiperidin-1-yl)methanone
CID 74246122
(5-cyclohexyl-1H-pyrazol-4-yl)-[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 70717244
(5-cyclohexyl-1H-pyrazol-4-yl)-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methanone
CID 97152845
2-(1-adamantyl)-5-[(2R)-2-(1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyrimidin-6-one
CID 97117782
5-chloro-3-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 29181945
2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 66584691
cyclohexyl 2-(1,3-thiazol-2-yl)pyrrolidine-1-carboxylate
CID 58171477
5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 99928980
cyclobutyl-[4-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]methanone
CID 97154928
(5-cyclohexyl-1H-pyrazol-4-yl)-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone
CID 163317492
2-[3-[2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]acetamide
CID 131942046
9-hydroxy-3-[(2S)-2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
CID 126452521

Frequently Asked Questions

What is the IUPAC name of (5-cyclohexyl-1H-pyrazol-4-yl)-[(2R)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (5-cyclohexyl-1H-pyrazol-4-yl)-[(2R)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone (CID 97110192) is (5-cyclohexyl-1H-pyrazol-4-yl)-[(2R)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (5-cyclohexyl-1H-pyrazol-4-yl)-[(2R)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (5-cyclohexyl-1H-pyrazol-4-yl)-[(2R)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone is O=C(c1cn[nH]c1C1CCCCC1)N1CCC[C@@H]1c1nccs1.
What is the InChIKey of (5-cyclohexyl-1H-pyrazol-4-yl)-[(2R)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone?
The InChIKey is JANVYFWUBHJQNU-CQSZACIVSA-N. The full InChI is InChI=1S/C17H22N4OS/c22-17(21-9-4-7-14(21)16-18-8-10-23-16)13-11-19-20-15(13)12-5-2-1-3-6-12/h8,10-12,14H,1-7,9H2,(H,19,20)/t14-/m1/s1.
What are the key properties of (5-cyclohexyl-1H-pyrazol-4-yl)-[(2R)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone?
(5-cyclohexyl-1H-pyrazol-4-yl)-[(2R)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone has a molecular weight of 330.46 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclohexyl-1H-pyrazol-4-yl)-[(2R)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 97110192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).