5-amino-1-cyclohexyl-3-(7-methylquinolin-3-yl)pyrazole-4-carboxamide

C20H23N5O — CID 121242381

IUPAC5-amino-1-cyclohexyl-3-(7-methylquinolin-3-yl)pyrazole-4-carboxamide
SMILESCc1ccc2cc(-c3nn(C4CCCCC4)c(N)c3C(N)=O)cnc2c1
InChIInChI=1S/C20H23N5O/c1-12-7-8-13-10-14(11-23-16(13)9-12)18-17(20(22)26)19(21)25(24-18)15-5-3-2-4-6-15/h7-11,15H,2-6,21H2,1H3,(H2,22,26)
InChIKeyPHGBQVKHKAFIRT-UHFFFAOYSA-N
MW349.44 g/mol
LogP3.59
Rot. Bonds3

About 5-amino-1-cyclohexyl-3-(7-methylquinolin-3-yl)pyrazole-4-carboxamide

5-amino-1-cyclohexyl-3-(7-methylquinolin-3-yl)pyrazole-4-carboxamide (PubChem CID 121242381) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 5-amino-1-cyclohexyl-3-(7-methylquinolin-3-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-cyclohexyl-3-(7-methylquinolin-3-yl)pyrazole-4-carboxamide
PubChem CID121242381
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name5-amino-1-cyclohexyl-3-(7-methylquinolin-3-yl)pyrazole-4-carboxamide
SMILESCc1ccc2cc(-c3nn(C4CCCCC4)c(N)c3C(N)=O)cnc2c1
InChIInChI=1S/C20H23N5O/c1-12-7-8-13-10-14(11-23-16(13)9-12)18-17(20(22)26)19(21)25(24-18)15-5-3-2-4-6-15/h7-11,15H,2-6,21H2,1H3,(H2,22,26)
InChIKeyPHGBQVKHKAFIRT-UHFFFAOYSA-N
XLogP3.59
TPSA99.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-cyclohexyl-3-(7-methylquinolin-3-yl)pyrazole-4-carboxamide?
The IUPAC name of 5-amino-1-cyclohexyl-3-(7-methylquinolin-3-yl)pyrazole-4-carboxamide (CID 121242381) is 5-amino-1-cyclohexyl-3-(7-methylquinolin-3-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-cyclohexyl-3-(7-methylquinolin-3-yl)pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-1-cyclohexyl-3-(7-methylquinolin-3-yl)pyrazole-4-carboxamide is Cc1ccc2cc(-c3nn(C4CCCCC4)c(N)c3C(N)=O)cnc2c1.
What is the InChIKey of 5-amino-1-cyclohexyl-3-(7-methylquinolin-3-yl)pyrazole-4-carboxamide?
The InChIKey is PHGBQVKHKAFIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-12-7-8-13-10-14(11-23-16(13)9-12)18-17(20(22)26)19(21)25(24-18)15-5-3-2-4-6-15/h7-11,15H,2-6,21H2,1H3,(H2,22,26).
What are the key properties of 5-amino-1-cyclohexyl-3-(7-methylquinolin-3-yl)pyrazole-4-carboxamide?
5-amino-1-cyclohexyl-3-(7-methylquinolin-3-yl)pyrazole-4-carboxamide has a molecular weight of 349.44 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-cyclohexyl-3-(7-methylquinolin-3-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 121242381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).