5-amino-1-(3-hydroxy-2,2-dimethylpropyl)-3-(2-methylquinolin-6-yl)pyrazole-4-carboxamide

C19H23N5O2 — CID 121242392

IUPAC5-amino-1-(3-hydroxy-2,2-dimethylpropyl)-3-(2-methylquinolin-6-yl)pyrazole-4-carboxamide
SMILESCc1ccc2cc(-c3nn(CC(C)(C)CO)c(N)c3C(N)=O)ccc2n1
InChIInChI=1S/C19H23N5O2/c1-11-4-5-12-8-13(6-7-14(12)22-11)16-15(18(21)26)17(20)24(23-16)9-19(2,3)10-25/h4-8,25H,9-10,20H2,1-3H3,(H2,21,26)
InChIKeyBBIHHIKUUWVACB-UHFFFAOYSA-N
MW353.43 g/mol
LogP2.11
Rot. Bonds5

About 5-amino-1-(3-hydroxy-2,2-dimethylpropyl)-3-(2-methylquinolin-6-yl)pyrazole-4-carboxamide

5-amino-1-(3-hydroxy-2,2-dimethylpropyl)-3-(2-methylquinolin-6-yl)pyrazole-4-carboxamide (PubChem CID 121242392) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 5-amino-1-(3-hydroxy-2,2-dimethylpropyl)-3-(2-methylquinolin-6-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-(3-hydroxy-2,2-dimethylpropyl)-3-(2-methylquinolin-6-yl)pyrazole-4-carboxamide
PubChem CID121242392
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name5-amino-1-(3-hydroxy-2,2-dimethylpropyl)-3-(2-methylquinolin-6-yl)pyrazole-4-carboxamide
SMILESCc1ccc2cc(-c3nn(CC(C)(C)CO)c(N)c3C(N)=O)ccc2n1
InChIInChI=1S/C19H23N5O2/c1-11-4-5-12-8-13(6-7-14(12)22-11)16-15(18(21)26)17(20)24(23-16)9-19(2,3)10-25/h4-8,25H,9-10,20H2,1-3H3,(H2,21,26)
InChIKeyBBIHHIKUUWVACB-UHFFFAOYSA-N
XLogP2.11
TPSA120.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(3-hydroxy-2,2-dimethylpropyl)-3-(2-methylquinolin-6-yl)pyrazole-4-carboxamide?
The IUPAC name of 5-amino-1-(3-hydroxy-2,2-dimethylpropyl)-3-(2-methylquinolin-6-yl)pyrazole-4-carboxamide (CID 121242392) is 5-amino-1-(3-hydroxy-2,2-dimethylpropyl)-3-(2-methylquinolin-6-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-(3-hydroxy-2,2-dimethylpropyl)-3-(2-methylquinolin-6-yl)pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-1-(3-hydroxy-2,2-dimethylpropyl)-3-(2-methylquinolin-6-yl)pyrazole-4-carboxamide is Cc1ccc2cc(-c3nn(CC(C)(C)CO)c(N)c3C(N)=O)ccc2n1.
What is the InChIKey of 5-amino-1-(3-hydroxy-2,2-dimethylpropyl)-3-(2-methylquinolin-6-yl)pyrazole-4-carboxamide?
The InChIKey is BBIHHIKUUWVACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-11-4-5-12-8-13(6-7-14(12)22-11)16-15(18(21)26)17(20)24(23-16)9-19(2,3)10-25/h4-8,25H,9-10,20H2,1-3H3,(H2,21,26).
What are the key properties of 5-amino-1-(3-hydroxy-2,2-dimethylpropyl)-3-(2-methylquinolin-6-yl)pyrazole-4-carboxamide?
5-amino-1-(3-hydroxy-2,2-dimethylpropyl)-3-(2-methylquinolin-6-yl)pyrazole-4-carboxamide has a molecular weight of 353.43 g/mol, XLogP of 2.11, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(3-hydroxy-2,2-dimethylpropyl)-3-(2-methylquinolin-6-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 121242392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).