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

C19H18N4O — CID 67389917

IUPAC(4-pyrazol-1-ylphenyl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1ccc(-n2cccn2)cc1)N1CCC(c2cccnc2)C1
InChIInChI=1S/C19H18N4O/c24-19(15-4-6-18(7-5-15)23-11-2-10-21-23)22-12-8-17(14-22)16-3-1-9-20-13-16/h1-7,9-11,13,17H,8,12,14H2
InChIKeyUARYPUGPRQJZRE-UHFFFAOYSA-N
MW318.38 g/mol
LogP2.90
Rot. Bonds3

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

(4-pyrazol-1-ylphenyl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone (PubChem CID 67389917) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is (4-pyrazol-1-ylphenyl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(4-pyrazol-1-ylphenyl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone
PubChem CID67389917
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC Name(4-pyrazol-1-ylphenyl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1ccc(-n2cccn2)cc1)N1CCC(c2cccnc2)C1
InChIInChI=1S/C19H18N4O/c24-19(15-4-6-18(7-5-15)23-11-2-10-21-23)22-12-8-17(14-22)16-3-1-9-20-13-16/h1-7,9-11,13,17H,8,12,14H2
InChIKeyUARYPUGPRQJZRE-UHFFFAOYSA-N
XLogP2.90
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-iodophenyl)-[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methanone
CID 96537371
[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(4-pyrazol-1-ylphenyl)methanone
CID 9462299
(4-hydroxy-3-methylpiperidin-1-yl)-(4-pyrazol-1-ylphenyl)methanone
CID 114680189
1-(4-pyrazol-1-ylbenzoyl)pyrrolidine-3-carboxylic acid
CID 63005917
[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-(3-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 146092927
(3-hydroxyazetidin-1-yl)-(4-pyrazol-1-ylphenyl)methanone
CID 55176659
[4-[1-hydroxy-2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]propyl]phenyl]-(3-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 134080726
(3-pyridin-3-ylpyrrolidin-1-yl)-(4-quinolin-3-ylphenyl)methanone
CID 46846484
(3-pyridin-3-ylpyrrolidin-1-yl)-[4-[4-(trifluoromethoxymethyl)phenyl]phenyl]methanone
CID 46846478
(3-pyridin-3-ylpiperidin-1-yl)-(6-pyrrol-1-yl-3-pyridinyl)methanone
CID 154843398
(4-chlorophenyl)-[4-[5-cyclopropyl-4-(3-pyridin-3-ylpyrrolidine-1-carbonyl)pyrazol-1-yl]piperidin-1-yl]methanone
CID 58838391
N-methyl-1-(4-pyrazol-1-ylbenzoyl)piperidine-4-carboxamide
CID 43064091

Frequently Asked Questions

What is the IUPAC name of (4-pyrazol-1-ylphenyl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone?
The IUPAC name of (4-pyrazol-1-ylphenyl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone (CID 67389917) is (4-pyrazol-1-ylphenyl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (4-pyrazol-1-ylphenyl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for (4-pyrazol-1-ylphenyl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone is O=C(c1ccc(-n2cccn2)cc1)N1CCC(c2cccnc2)C1.
What is the InChIKey of (4-pyrazol-1-ylphenyl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone?
The InChIKey is UARYPUGPRQJZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O/c24-19(15-4-6-18(7-5-15)23-11-2-10-21-23)22-12-8-17(14-22)16-3-1-9-20-13-16/h1-7,9-11,13,17H,8,12,14H2.
What are the key properties of (4-pyrazol-1-ylphenyl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone?
(4-pyrazol-1-ylphenyl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone has a molecular weight of 318.38 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pyrazol-1-ylphenyl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 67389917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).