1-[1-(4-methylquinolin-2-yl)azetidin-3-yl]pyrazole-4-carboxamide

C17H17N5O — CID 126901090

IUPAC1-[1-(4-methylquinolin-2-yl)azetidin-3-yl]pyrazole-4-carboxamide
SMILESCc1cc(N2CC(n3cc(C(N)=O)cn3)C2)nc2ccccc12
InChIInChI=1S/C17H17N5O/c1-11-6-16(20-15-5-3-2-4-14(11)15)21-9-13(10-21)22-8-12(7-19-22)17(18)23/h2-8,13H,9-10H2,1H3,(H2,18,23)
InChIKeyPDYMNXZMFUXGOA-UHFFFAOYSA-N
MW307.36 g/mol
LogP1.90
Rot. Bonds3

About 1-[1-(4-methylquinolin-2-yl)azetidin-3-yl]pyrazole-4-carboxamide

1-[1-(4-methylquinolin-2-yl)azetidin-3-yl]pyrazole-4-carboxamide (PubChem CID 126901090) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is 1-[1-(4-methylquinolin-2-yl)azetidin-3-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[1-(4-methylquinolin-2-yl)azetidin-3-yl]pyrazole-4-carboxamide
PubChem CID126901090
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC Name1-[1-(4-methylquinolin-2-yl)azetidin-3-yl]pyrazole-4-carboxamide
SMILESCc1cc(N2CC(n3cc(C(N)=O)cn3)C2)nc2ccccc12
InChIInChI=1S/C17H17N5O/c1-11-6-16(20-15-5-3-2-4-14(11)15)21-9-13(10-21)22-8-12(7-19-22)17(18)23/h2-8,13H,9-10H2,1H3,(H2,18,23)
InChIKeyPDYMNXZMFUXGOA-UHFFFAOYSA-N
XLogP1.90
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[1-(4-methylquinolin-2-yl)azetidin-3-yl]pyrazole-4-carboxamide 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

1-(2-fluorophenyl)-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide
CID 137375517
N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(1-propan-2-ylpiperidin-4-yl)pyrazole-4-carboxamide
CID 138585697
4-(azetidine-1-carbonyl)-1-methyl-N-[1-(quinolin-2-yl)-1H-imidazol-4-yl]-1H-pyrazole-5-carboxamide
CID 165368461
4-(azetidine-1-carbonyl)-1-methyl-N-(1-methyl-3-quinolin-2-ylpyrazol-5-yl)pyrazole-5-carboxamide
CID 165415058
N-(5-Methyl-1-quinolin-5-yl-1H-pyrazole-4-carbonyl)-guanidine
CID 22267755
5-Amino-1-tert-butyl-3-quinolin-3-ylpyrazole-4-carboxamide
CID 73670975
5-Amino-1-tert-butyl-3-quinolin-6-ylpyrazole-4-carboxamide
CID 76313927
5-Amino-1-tert-butyl-3-(7-fluoroquinolin-3-yl)pyrazole-4-carboxamide
CID 86342082
(5-amino-8-(4-(1-methyl-1H-pyrazol-4-yl)phenyl)-1,6-naphthyridin-2-yl)(azetidin-1-yl)methanone
CID 118660701
N-(8-(4-(1-Methyl-1H-pyrazol-4-yl)phenyl)-1,6-naphthyridin-2-yl)acetamide
CID 118660815
(5-amino-8-(4-(1-methyl-1H-pyrazol-4-yl)phenyl)-1,6-naphthyridin-2-yl)(3-fluoro-3-methylazetidin-1-yl)methanone
CID 118660891
5-methyl-1-(3-methyl-2-pyridinyl)-N-quinolin-2-ylpyrazole-4-carboxamide
CID 137375516

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methylquinolin-2-yl)azetidin-3-yl]pyrazole-4-carboxamide?
The IUPAC name of 1-[1-(4-methylquinolin-2-yl)azetidin-3-yl]pyrazole-4-carboxamide (CID 126901090) is 1-[1-(4-methylquinolin-2-yl)azetidin-3-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-[1-(4-methylquinolin-2-yl)azetidin-3-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1-[1-(4-methylquinolin-2-yl)azetidin-3-yl]pyrazole-4-carboxamide is Cc1cc(N2CC(n3cc(C(N)=O)cn3)C2)nc2ccccc12.
What is the InChIKey of 1-[1-(4-methylquinolin-2-yl)azetidin-3-yl]pyrazole-4-carboxamide?
The InChIKey is PDYMNXZMFUXGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O/c1-11-6-16(20-15-5-3-2-4-14(11)15)21-9-13(10-21)22-8-12(7-19-22)17(18)23/h2-8,13H,9-10H2,1H3,(H2,18,23).
What are the key properties of 1-[1-(4-methylquinolin-2-yl)azetidin-3-yl]pyrazole-4-carboxamide?
1-[1-(4-methylquinolin-2-yl)azetidin-3-yl]pyrazole-4-carboxamide has a molecular weight of 307.36 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 1-[1-(4-methylquinolin-2-yl)azetidin-3-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 126901090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).