(5-methyl-1-propylpyrazol-4-yl)-(3-pyridin-3-ylazetidin-1-yl)methanone

C16H20N4O — CID 72886272

IUPAC(5-methyl-1-propylpyrazol-4-yl)-(3-pyridin-3-ylazetidin-1-yl)methanone
SMILESCCCn1ncc(C(=O)N2CC(c3cccnc3)C2)c1C
InChIInChI=1S/C16H20N4O/c1-3-7-20-12(2)15(9-18-20)16(21)19-10-14(11-19)13-5-4-6-17-8-13/h4-6,8-9,14H,3,7,10-11H2,1-2H3
InChIKeyOAFRXVMSQKYKIQ-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.24
Rot. Bonds4

About (5-methyl-1-propylpyrazol-4-yl)-(3-pyridin-3-ylazetidin-1-yl)methanone

(5-methyl-1-propylpyrazol-4-yl)-(3-pyridin-3-ylazetidin-1-yl)methanone (PubChem CID 72886272) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is (5-methyl-1-propylpyrazol-4-yl)-(3-pyridin-3-ylazetidin-1-yl)methanone.

Molecular Properties

Compound Name(5-methyl-1-propylpyrazol-4-yl)-(3-pyridin-3-ylazetidin-1-yl)methanone
PubChem CID72886272
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name(5-methyl-1-propylpyrazol-4-yl)-(3-pyridin-3-ylazetidin-1-yl)methanone
SMILESCCCn1ncc(C(=O)N2CC(c3cccnc3)C2)c1C
InChIInChI=1S/C16H20N4O/c1-3-7-20-12(2)15(9-18-20)16(21)19-10-14(11-19)13-5-4-6-17-8-13/h4-6,8-9,14H,3,7,10-11H2,1-2H3
InChIKeyOAFRXVMSQKYKIQ-UHFFFAOYSA-N
XLogP2.24
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5-methyl-1-propylpyrazol-4-yl)-(3-pyridin-3-ylazetidin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3S)-1-(5-methyl-1-propylpyrazole-4-carbonyl)pyrrolidin-3-yl]benzoic acid
CID 95709553
(1S,5R)-3-(5-methyl-1-propylpyrazole-4-carbonyl)-6-(pyridin-2-ylmethyl)-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 72857047
1-methyl-4-(3-pyridin-3-ylazetidine-1-carbonyl)quinolin-2-one
CID 56916686
[4-[[(3S)-1-methylpiperidin-3-yl]methyl]piperazin-1-yl]-(5-methyl-1-propylpyrazol-4-yl)methanone
CID 97133362
(3,5-dichloro-4-methylphenyl)-(3-pyridin-3-ylazetidin-1-yl)methanone
CID 72913685
(1-methylimidazol-2-yl)-[(3S)-1-(5-methyl-1-propylpyrazole-4-carbonyl)piperidin-3-yl]methanone
CID 95125513
(1-ethyl-5-methylpyrazol-4-yl)-[(3S)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]methanone
CID 97272470
(4-butylcyclohexyl)-(3-pyridin-3-ylazetidin-1-yl)methanone
CID 56892222
5-methyl-1-propyl-N-[3-(pyridin-3-ylamino)propyl]pyrazole-4-carboxamide
CID 72864277
[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]-(5-methyl-1-propylpyrazol-4-yl)methanone
CID 135090278
(5-methyl-1-propylpyrazol-4-yl)-[3-(propoxymethyl)pyrrolidin-1-yl]methanone
CID 72881839
1-[4-[4-(5-methyl-1-propylpyrazole-4-carbonyl)piperazin-1-yl]phenyl]ethanone
CID 72849446

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1-propylpyrazol-4-yl)-(3-pyridin-3-ylazetidin-1-yl)methanone?
The IUPAC name of (5-methyl-1-propylpyrazol-4-yl)-(3-pyridin-3-ylazetidin-1-yl)methanone (CID 72886272) is (5-methyl-1-propylpyrazol-4-yl)-(3-pyridin-3-ylazetidin-1-yl)methanone.
What is the SMILES notation for (5-methyl-1-propylpyrazol-4-yl)-(3-pyridin-3-ylazetidin-1-yl)methanone?
The canonical SMILES for (5-methyl-1-propylpyrazol-4-yl)-(3-pyridin-3-ylazetidin-1-yl)methanone is CCCn1ncc(C(=O)N2CC(c3cccnc3)C2)c1C.
What is the InChIKey of (5-methyl-1-propylpyrazol-4-yl)-(3-pyridin-3-ylazetidin-1-yl)methanone?
The InChIKey is OAFRXVMSQKYKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-3-7-20-12(2)15(9-18-20)16(21)19-10-14(11-19)13-5-4-6-17-8-13/h4-6,8-9,14H,3,7,10-11H2,1-2H3.
What are the key properties of (5-methyl-1-propylpyrazol-4-yl)-(3-pyridin-3-ylazetidin-1-yl)methanone?
(5-methyl-1-propylpyrazol-4-yl)-(3-pyridin-3-ylazetidin-1-yl)methanone has a molecular weight of 284.36 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1-propylpyrazol-4-yl)-(3-pyridin-3-ylazetidin-1-yl)methanone is sourced from PubChem (CID 72886272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).