[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-pyridin-4-ylmethanone

C14H16N4O — CID 91788675

IUPAC[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-pyridin-4-ylmethanone
SMILESCc1cc(C)n(C2CN(C(=O)c3ccncc3)C2)n1
InChIInChI=1S/C14H16N4O/c1-10-7-11(2)18(16-10)13-8-17(9-13)14(19)12-3-5-15-6-4-12/h3-7,13H,8-9H2,1-2H3
InChIKeyUMYUVMMTPKVDFY-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.59
Rot. Bonds2

About [3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-pyridin-4-ylmethanone

[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-pyridin-4-ylmethanone (PubChem CID 91788675) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is [3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-pyridin-4-ylmethanone
PubChem CID91788675
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-pyridin-4-ylmethanone
SMILESCc1cc(C)n(C2CN(C(=O)c3ccncc3)C2)n1
InChIInChI=1S/C14H16N4O/c1-10-7-11(2)18(16-10)13-8-17(9-13)14(19)12-3-5-15-6-4-12/h3-7,13H,8-9H2,1-2H3
InChIKeyUMYUVMMTPKVDFY-UHFFFAOYSA-N
XLogP1.59
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-pyridin-4-ylmethanone 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

[4-[1-(difluoromethyl)-3-methylpyrazol-4-yl]phenyl]-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methanone
CID 122561645
1-[6-[3-[3-(3,5-dimethylpyrazol-1-yl)azetidine-1-carbonyl]phenyl]-3-pyridinyl]ethanone
CID 122569399
[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-(2-methyl-1-benzothiophen-3-yl)methanone
CID 154816969
5-[(3R)-3-(3,5-dimethylpyrazol-1-yl)piperidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one
CID 95347958
[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-[4-(piperidin-1-ylmethyl)phenyl]methanone
CID 72877286
[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-(3-pyrazol-1-ylphenyl)methanone
CID 50969651
1-[4-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-1-carbonyl]phenyl]imidazolidine-2,4-dione
CID 72895809
1,3-benzodioxol-5-yl-[(3R)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]methanone
CID 95338015
[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-[3-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]phenyl]methanone
CID 122560476
[6-(cyclopropylamino)-3-pyridinyl]-[(3R)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]methanone
CID 95344948
[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-[(2R)-2-methyloxolan-2-yl]methanone
CID 126433993
N-[1-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-2-methyl-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 50975819

Frequently Asked Questions

What is the IUPAC name of [3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-pyridin-4-ylmethanone?
The IUPAC name of [3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-pyridin-4-ylmethanone (CID 91788675) is [3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-pyridin-4-ylmethanone is Cc1cc(C)n(C2CN(C(=O)c3ccncc3)C2)n1.
What is the InChIKey of [3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-pyridin-4-ylmethanone?
The InChIKey is UMYUVMMTPKVDFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-10-7-11(2)18(16-10)13-8-17(9-13)14(19)12-3-5-15-6-4-12/h3-7,13H,8-9H2,1-2H3.
What are the key properties of [3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-pyridin-4-ylmethanone?
[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-pyridin-4-ylmethanone has a molecular weight of 256.31 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 91788675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).