2,5-dimethyl-N-(1-quinolin-4-ylazetidin-3-yl)pyrazole-3-carboxamide

C18H19N5O — CID 175650745

IUPAC2,5-dimethyl-N-(1-quinolin-4-ylazetidin-3-yl)pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC2CN(c3ccnc4ccccc34)C2)n(C)n1
InChIInChI=1S/C18H19N5O/c1-12-9-17(22(2)21-12)18(24)20-13-10-23(11-13)16-7-8-19-15-6-4-3-5-14(15)16/h3-9,13H,10-11H2,1-2H3,(H,20,24)
InChIKeyYSXBFLOFHQFUJR-UHFFFAOYSA-N
MW321.38 g/mol
LogP1.90
Rot. Bonds3

About 2,5-dimethyl-N-(1-quinolin-4-ylazetidin-3-yl)pyrazole-3-carboxamide

2,5-dimethyl-N-(1-quinolin-4-ylazetidin-3-yl)pyrazole-3-carboxamide (PubChem CID 175650745) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 2,5-dimethyl-N-(1-quinolin-4-ylazetidin-3-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-(1-quinolin-4-ylazetidin-3-yl)pyrazole-3-carboxamide
PubChem CID175650745
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name2,5-dimethyl-N-(1-quinolin-4-ylazetidin-3-yl)pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC2CN(c3ccnc4ccccc34)C2)n(C)n1
InChIInChI=1S/C18H19N5O/c1-12-9-17(22(2)21-12)18(24)20-13-10-23(11-13)16-7-8-19-15-6-4-3-5-14(15)16/h3-9,13H,10-11H2,1-2H3,(H,20,24)
InChIKeyYSXBFLOFHQFUJR-UHFFFAOYSA-N
XLogP1.90
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dimethyl-N-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]pyrazole-3-carboxamide
CID 172899580
N-[1-(5-ethylpyrimidin-2-yl)azetidin-3-yl]-2,5-dimethylpyrazole-3-carboxamide
CID 175648687
2,5-dimethyl-N-(1-thieno[2,3-d]pyrimidin-4-ylazetidin-3-yl)pyrazole-3-carboxamide
CID 175650434
N-(4-hydroxycyclohexyl)-2,5-dimethylpyrazole-3-carboxamide
CID 61057507
2,5-dimethyl-N-[1-(2-phenylethyl)piperidin-4-yl]pyrazole-3-carboxamide
CID 175649732
2,5-dimethyl-N-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]pyrazole-3-carboxamide
CID 172899602
3,4-dichloro-5-methyl-N-(1-quinolin-4-ylpiperidin-4-yl)-1H-pyrrole-2-carboxamide
CID 141113998
2,5-dimethyl-N-[4-(propylamino)cyclohexyl]pyrazole-3-carboxamide
CID 66126685
1-(4-methylphenyl)-3-(1-quinolin-4-ylpiperidin-4-yl)urea
CID 44525916
N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-quinolin-5-ylpyrazole-3-carboxamide
CID 142753723
N-[1-(5,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2,5-dimethylpyrazole-3-carboxamide
CID 172899553
N-[(3aR,5S,6S,7aS)-6-hydroxy-2-quinolin-4-yl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 172667143

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(1-quinolin-4-ylazetidin-3-yl)pyrazole-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-(1-quinolin-4-ylazetidin-3-yl)pyrazole-3-carboxamide (CID 175650745) is 2,5-dimethyl-N-(1-quinolin-4-ylazetidin-3-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-(1-quinolin-4-ylazetidin-3-yl)pyrazole-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-(1-quinolin-4-ylazetidin-3-yl)pyrazole-3-carboxamide is Cc1cc(C(=O)NC2CN(c3ccnc4ccccc34)C2)n(C)n1.
What is the InChIKey of 2,5-dimethyl-N-(1-quinolin-4-ylazetidin-3-yl)pyrazole-3-carboxamide?
The InChIKey is YSXBFLOFHQFUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-12-9-17(22(2)21-12)18(24)20-13-10-23(11-13)16-7-8-19-15-6-4-3-5-14(15)16/h3-9,13H,10-11H2,1-2H3,(H,20,24).
What are the key properties of 2,5-dimethyl-N-(1-quinolin-4-ylazetidin-3-yl)pyrazole-3-carboxamide?
2,5-dimethyl-N-(1-quinolin-4-ylazetidin-3-yl)pyrazole-3-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(1-quinolin-4-ylazetidin-3-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 175650745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).