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

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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).