(3-pyrazol-1-ylphenyl)-(4-pyridin-4-ylpiperidin-1-yl)methanone

C20H20N4O — CID 70745005

IUPAC(3-pyrazol-1-ylphenyl)-(4-pyridin-4-ylpiperidin-1-yl)methanone
SMILESO=C(c1cccc(-n2cccn2)c1)N1CCC(c2ccncc2)CC1
InChIInChI=1S/C20H20N4O/c25-20(18-3-1-4-19(15-18)24-12-2-9-22-24)23-13-7-17(8-14-23)16-5-10-21-11-6-16/h1-6,9-12,15,17H,7-8,13-14H2
InChIKeyVDTGIPPNEZHYPE-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.29
Rot. Bonds3

About (3-pyrazol-1-ylphenyl)-(4-pyridin-4-ylpiperidin-1-yl)methanone

(3-pyrazol-1-ylphenyl)-(4-pyridin-4-ylpiperidin-1-yl)methanone (PubChem CID 70745005) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is (3-pyrazol-1-ylphenyl)-(4-pyridin-4-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3-pyrazol-1-ylphenyl)-(4-pyridin-4-ylpiperidin-1-yl)methanone
PubChem CID70745005
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name(3-pyrazol-1-ylphenyl)-(4-pyridin-4-ylpiperidin-1-yl)methanone
SMILESO=C(c1cccc(-n2cccn2)c1)N1CCC(c2ccncc2)CC1
InChIInChI=1S/C20H20N4O/c25-20(18-3-1-4-19(15-18)24-12-2-9-22-24)23-13-7-17(8-14-23)16-5-10-21-11-6-16/h1-6,9-12,15,17H,7-8,13-14H2
InChIKeyVDTGIPPNEZHYPE-UHFFFAOYSA-N
XLogP3.29
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-fluorophenyl)-(4-pyridin-4-ylpiperidin-1-yl)methanone
CID 22585654
(3-pyrazol-1-ylphenyl)-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone
CID 70764717
(3R)-1-(3-pyrazol-1-ylbenzoyl)pyrrolidine-3-carboxylic acid
CID 129350524
1-(3-pyrazol-1-ylbenzoyl)pyrrolidine-3-carboxylic acid
CID 126768644
(4,4-difluoropiperidin-1-yl)-(3-pyrazol-1-ylphenyl)methanone
CID 139027277
4-[1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]pyridine
CID 56913035
(3R)-1-(3-pyrazol-1-ylbenzoyl)piperidine-3-carboxylic acid
CID 124576728
[(7S)-7-(2-chlorophenyl)-1,4-thiazepan-4-yl]-(3-pyrazol-1-ylphenyl)methanone
CID 99878644
[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-(3-pyrazol-1-ylphenyl)methanone
CID 50969651
(3-pyrazol-1-ylphenyl)-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122337319
[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(3-pyrazol-1-ylphenyl)methanone
CID 97189447
4-methyl-2-[1-(3-pyrazol-1-ylbenzoyl)piperidin-4-yl]-5-(trifluoromethyl)-1,2,4-triazol-3-one
CID 119103218

Frequently Asked Questions

What is the IUPAC name of (3-pyrazol-1-ylphenyl)-(4-pyridin-4-ylpiperidin-1-yl)methanone?
The IUPAC name of (3-pyrazol-1-ylphenyl)-(4-pyridin-4-ylpiperidin-1-yl)methanone (CID 70745005) is (3-pyrazol-1-ylphenyl)-(4-pyridin-4-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (3-pyrazol-1-ylphenyl)-(4-pyridin-4-ylpiperidin-1-yl)methanone?
The canonical SMILES for (3-pyrazol-1-ylphenyl)-(4-pyridin-4-ylpiperidin-1-yl)methanone is O=C(c1cccc(-n2cccn2)c1)N1CCC(c2ccncc2)CC1.
What is the InChIKey of (3-pyrazol-1-ylphenyl)-(4-pyridin-4-ylpiperidin-1-yl)methanone?
The InChIKey is VDTGIPPNEZHYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c25-20(18-3-1-4-19(15-18)24-12-2-9-22-24)23-13-7-17(8-14-23)16-5-10-21-11-6-16/h1-6,9-12,15,17H,7-8,13-14H2.
What are the key properties of (3-pyrazol-1-ylphenyl)-(4-pyridin-4-ylpiperidin-1-yl)methanone?
(3-pyrazol-1-ylphenyl)-(4-pyridin-4-ylpiperidin-1-yl)methanone has a molecular weight of 332.41 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-pyrazol-1-ylphenyl)-(4-pyridin-4-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 70745005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).