(3,5-dimethyl-1-propylpyrazol-4-yl)-[3-(pyridin-2-ylmethyl)piperidin-1-yl]methanone

C20H28N4O — CID 127246392

IUPAC(3,5-dimethyl-1-propylpyrazol-4-yl)-[3-(pyridin-2-ylmethyl)piperidin-1-yl]methanone
SMILESCCCn1nc(C)c(C(=O)N2CCCC(Cc3ccccn3)C2)c1C
InChIInChI=1S/C20H28N4O/c1-4-11-24-16(3)19(15(2)22-24)20(25)23-12-7-8-17(14-23)13-18-9-5-6-10-21-18/h5-6,9-10,17H,4,7-8,11-14H2,1-3H3
InChIKeyDRZSVRXFSFMJDA-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.40
Rot. Bonds5

About (3,5-dimethyl-1-propylpyrazol-4-yl)-[3-(pyridin-2-ylmethyl)piperidin-1-yl]methanone

(3,5-dimethyl-1-propylpyrazol-4-yl)-[3-(pyridin-2-ylmethyl)piperidin-1-yl]methanone (PubChem CID 127246392) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is (3,5-dimethyl-1-propylpyrazol-4-yl)-[3-(pyridin-2-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethyl-1-propylpyrazol-4-yl)-[3-(pyridin-2-ylmethyl)piperidin-1-yl]methanone
PubChem CID127246392
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name(3,5-dimethyl-1-propylpyrazol-4-yl)-[3-(pyridin-2-ylmethyl)piperidin-1-yl]methanone
SMILESCCCn1nc(C)c(C(=O)N2CCCC(Cc3ccccn3)C2)c1C
InChIInChI=1S/C20H28N4O/c1-4-11-24-16(3)19(15(2)22-24)20(25)23-12-7-8-17(14-23)13-18-9-5-6-10-21-18/h5-6,9-10,17H,4,7-8,11-14H2,1-3H3
InChIKeyDRZSVRXFSFMJDA-UHFFFAOYSA-N
XLogP3.40
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-aminopiperidin-1-yl)-(3,5-dimethyl-1-propylpyrazol-4-yl)methanone
CID 119381314
(3,5-dimethyl-1-propylpyrazol-4-yl)-[(3R)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methanone
CID 124992904
1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
CID 110254207
[(3R)-3-aminopyrrolidin-1-yl]-(3,5-dimethyl-1-propylpyrazol-4-yl)methanone;hydrochloride
CID 119413051
(3,5-dimethyl-1-propylpyrazol-4-yl)-[(3R)-3-(2-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 97099034
(2-cyclopropylpyrimidin-5-yl)-[(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]methanone
CID 125026604
(3S)-N-(3,5-dimethyl-1-propylpyrazol-4-yl)-3-(pyridin-2-ylmethoxy)piperidine-1-carboxamide
CID 125170232
2-hydroxy-1-[(3R)-3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
CID 95841867
[3-(pyridin-2-ylmethyl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 175652360
(6-methylimidazo[1,2-a]pyridin-2-yl)-[3-(pyridin-2-ylmethyl)piperidin-1-yl]methanone
CID 110103325
(3-methoxyphenyl)-[(3R)-3-(pyridin-2-ylmethyl)piperidin-1-yl]methanone
CID 124968475
3-methoxy-1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]propan-1-one
CID 110270825

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1-propylpyrazol-4-yl)-[3-(pyridin-2-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of (3,5-dimethyl-1-propylpyrazol-4-yl)-[3-(pyridin-2-ylmethyl)piperidin-1-yl]methanone (CID 127246392) is (3,5-dimethyl-1-propylpyrazol-4-yl)-[3-(pyridin-2-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (3,5-dimethyl-1-propylpyrazol-4-yl)-[3-(pyridin-2-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for (3,5-dimethyl-1-propylpyrazol-4-yl)-[3-(pyridin-2-ylmethyl)piperidin-1-yl]methanone is CCCn1nc(C)c(C(=O)N2CCCC(Cc3ccccn3)C2)c1C.
What is the InChIKey of (3,5-dimethyl-1-propylpyrazol-4-yl)-[3-(pyridin-2-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is DRZSVRXFSFMJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-4-11-24-16(3)19(15(2)22-24)20(25)23-12-7-8-17(14-23)13-18-9-5-6-10-21-18/h5-6,9-10,17H,4,7-8,11-14H2,1-3H3.
What are the key properties of (3,5-dimethyl-1-propylpyrazol-4-yl)-[3-(pyridin-2-ylmethyl)piperidin-1-yl]methanone?
(3,5-dimethyl-1-propylpyrazol-4-yl)-[3-(pyridin-2-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 340.47 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1-propylpyrazol-4-yl)-[3-(pyridin-2-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 127246392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).