(5-cyclohexyl-1H-pyrazol-4-yl)-(2-pyridin-3-ylpiperidin-1-yl)methanone

C20H26N4O — CID 74246122

IUPAC(5-cyclohexyl-1H-pyrazol-4-yl)-(2-pyridin-3-ylpiperidin-1-yl)methanone
SMILESO=C(c1cn[nH]c1C1CCCCC1)N1CCCCC1c1cccnc1
InChIInChI=1S/C20H26N4O/c25-20(17-14-22-23-19(17)15-7-2-1-3-8-15)24-12-5-4-10-18(24)16-9-6-11-21-13-16/h6,9,11,13-15,18H,1-5,7-8,10,12H2,(H,22,23)
InChIKeyFRETZZJSOMQVBK-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.22
Rot. Bonds3

About (5-cyclohexyl-1H-pyrazol-4-yl)-(2-pyridin-3-ylpiperidin-1-yl)methanone

(5-cyclohexyl-1H-pyrazol-4-yl)-(2-pyridin-3-ylpiperidin-1-yl)methanone (PubChem CID 74246122) has the molecular formula C20H26N4O and a molecular weight of 338.45 g/mol. Its IUPAC name is (5-cyclohexyl-1H-pyrazol-4-yl)-(2-pyridin-3-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-cyclohexyl-1H-pyrazol-4-yl)-(2-pyridin-3-ylpiperidin-1-yl)methanone
PubChem CID74246122
Molecular FormulaC20H26N4O
Molecular Weight338.45 g/mol
Exact Mass338.21
IUPAC Name(5-cyclohexyl-1H-pyrazol-4-yl)-(2-pyridin-3-ylpiperidin-1-yl)methanone
SMILESO=C(c1cn[nH]c1C1CCCCC1)N1CCCCC1c1cccnc1
InChIInChI=1S/C20H26N4O/c25-20(17-14-22-23-19(17)15-7-2-1-3-8-15)24-12-5-4-10-18(24)16-9-6-11-21-13-16/h6,9,11,13-15,18H,1-5,7-8,10,12H2,(H,22,23)
InChIKeyFRETZZJSOMQVBK-UHFFFAOYSA-N
XLogP4.22
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-cyclohexyl-1H-pyrazol-4-yl)-[(1R)-1-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone
CID 97131948
(5-cyclohexyl-1H-pyrazol-4-yl)-[(2R)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone
CID 97110192
(2-methylphenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 110871555
2-pyridin-3-ylpiperidine-1-carboxylic acid
CID 67067085
[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]methanone
CID 97145858
[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]methanone
CID 97145859
(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
[(2S)-2-pyridin-3-ylpiperidin-1-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone
CID 97193301
2-methyl-6-(2-pyridin-3-ylpiperidine-1-carbonyl)pyridazin-3-one
CID 74249642
(5-bromo-2-methylphenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 65311628
1H-indazol-7-yl-(2-pyridin-4-ylazepan-1-yl)methanone
CID 87045422

Frequently Asked Questions

What is the IUPAC name of (5-cyclohexyl-1H-pyrazol-4-yl)-(2-pyridin-3-ylpiperidin-1-yl)methanone?
The IUPAC name of (5-cyclohexyl-1H-pyrazol-4-yl)-(2-pyridin-3-ylpiperidin-1-yl)methanone (CID 74246122) is (5-cyclohexyl-1H-pyrazol-4-yl)-(2-pyridin-3-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (5-cyclohexyl-1H-pyrazol-4-yl)-(2-pyridin-3-ylpiperidin-1-yl)methanone?
The canonical SMILES for (5-cyclohexyl-1H-pyrazol-4-yl)-(2-pyridin-3-ylpiperidin-1-yl)methanone is O=C(c1cn[nH]c1C1CCCCC1)N1CCCCC1c1cccnc1.
What is the InChIKey of (5-cyclohexyl-1H-pyrazol-4-yl)-(2-pyridin-3-ylpiperidin-1-yl)methanone?
The InChIKey is FRETZZJSOMQVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c25-20(17-14-22-23-19(17)15-7-2-1-3-8-15)24-12-5-4-10-18(24)16-9-6-11-21-13-16/h6,9,11,13-15,18H,1-5,7-8,10,12H2,(H,22,23).
What are the key properties of (5-cyclohexyl-1H-pyrazol-4-yl)-(2-pyridin-3-ylpiperidin-1-yl)methanone?
(5-cyclohexyl-1H-pyrazol-4-yl)-(2-pyridin-3-ylpiperidin-1-yl)methanone has a molecular weight of 338.45 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclohexyl-1H-pyrazol-4-yl)-(2-pyridin-3-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 74246122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).