(5-propyl-1H-pyrazol-3-yl)-[2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone

C19H26N4O — CID 70762389

IUPAC(5-propyl-1H-pyrazol-3-yl)-[2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone
SMILESCCCc1cc(C(=O)N2CCCCC2CCc2ccccn2)n[nH]1
InChIInChI=1S/C19H26N4O/c1-2-7-16-14-18(22-21-16)19(24)23-13-6-4-9-17(23)11-10-15-8-3-5-12-20-15/h3,5,8,12,14,17H,2,4,6-7,9-11,13H2,1H3,(H,21,22)
InChIKeyNFDHPOJTSUOQFZ-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.38
Rot. Bonds6

About (5-propyl-1H-pyrazol-3-yl)-[2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone

(5-propyl-1H-pyrazol-3-yl)-[2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone (PubChem CID 70762389) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is (5-propyl-1H-pyrazol-3-yl)-[2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-propyl-1H-pyrazol-3-yl)-[2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone
PubChem CID70762389
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name(5-propyl-1H-pyrazol-3-yl)-[2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone
SMILESCCCc1cc(C(=O)N2CCCCC2CCc2ccccn2)n[nH]1
InChIInChI=1S/C19H26N4O/c1-2-7-16-14-18(22-21-16)19(24)23-13-6-4-9-17(23)11-10-15-8-3-5-12-20-15/h3,5,8,12,14,17H,2,4,6-7,9-11,13H2,1H3,(H,21,22)
InChIKeyNFDHPOJTSUOQFZ-UHFFFAOYSA-N
XLogP3.38
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5-propyl-1H-pyrazol-3-yl)-[2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone with MolForge

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Related Compounds

(5-propyl-1H-pyrazol-3-yl)-[(2S)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone
CID 97141726
[(2R)-2-ethylpiperidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone
CID 36703026
(4-fluoro-3-hydroxyphenyl)-[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone
CID 99932075
[5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazol-3-yl]-[(2S)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone
CID 42292261
[4-[2-hydroxyethyl(methyl)amino]phenyl]-[(2S)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone
CID 99932008
[(2S)-2-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]pyrrolidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone
CID 100619429
[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone
CID 95605583
[5-[(2-chloro-4-fluorophenoxy)methyl]-1,2-oxazol-3-yl]-[2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone
CID 45170984
[1-(2-morpholin-4-ylethyl)triazol-4-yl]-[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone
CID 95209444
[2-(2-chloroethyl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 55187043
1-[2-oxo-2-[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione
CID 99929974
2-[2-oxo-2-[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]ethyl]-1H-pyridazine-3,6-dione
CID 95227998

Frequently Asked Questions

What is the IUPAC name of (5-propyl-1H-pyrazol-3-yl)-[2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone?
The IUPAC name of (5-propyl-1H-pyrazol-3-yl)-[2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone (CID 70762389) is (5-propyl-1H-pyrazol-3-yl)-[2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-propyl-1H-pyrazol-3-yl)-[2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone?
The canonical SMILES for (5-propyl-1H-pyrazol-3-yl)-[2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone is CCCc1cc(C(=O)N2CCCCC2CCc2ccccn2)n[nH]1.
What is the InChIKey of (5-propyl-1H-pyrazol-3-yl)-[2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone?
The InChIKey is NFDHPOJTSUOQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-2-7-16-14-18(22-21-16)19(24)23-13-6-4-9-17(23)11-10-15-8-3-5-12-20-15/h3,5,8,12,14,17H,2,4,6-7,9-11,13H2,1H3,(H,21,22).
What are the key properties of (5-propyl-1H-pyrazol-3-yl)-[2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone?
(5-propyl-1H-pyrazol-3-yl)-[2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone has a molecular weight of 326.44 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-propyl-1H-pyrazol-3-yl)-[2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 70762389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).