5-amino-3-(4-bromophenyl)-1-(4-hydroxy-4-methylcyclohexyl)pyrazole-4-carboxamide

C17H21BrN4O2 — CID 129247929

IUPAC5-amino-3-(4-bromophenyl)-1-(4-hydroxy-4-methylcyclohexyl)pyrazole-4-carboxamide
SMILESCC1(O)CCC(n2nc(-c3ccc(Br)cc3)c(C(N)=O)c2N)CC1
InChIInChI=1S/C17H21BrN4O2/c1-17(24)8-6-12(7-9-17)22-15(19)13(16(20)23)14(21-22)10-2-4-11(18)5-3-10/h2-5,12,24H,6-9,19H2,1H3,(H2,20,23)
InChIKeyHKAKGHHYDDKKGB-UHFFFAOYSA-N
MW393.29 g/mol
LogP2.86
Rot. Bonds3

About 5-amino-3-(4-bromophenyl)-1-(4-hydroxy-4-methylcyclohexyl)pyrazole-4-carboxamide

5-amino-3-(4-bromophenyl)-1-(4-hydroxy-4-methylcyclohexyl)pyrazole-4-carboxamide (PubChem CID 129247929) has the molecular formula C17H21BrN4O2 and a molecular weight of 393.29 g/mol. Its IUPAC name is 5-amino-3-(4-bromophenyl)-1-(4-hydroxy-4-methylcyclohexyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-3-(4-bromophenyl)-1-(4-hydroxy-4-methylcyclohexyl)pyrazole-4-carboxamide
PubChem CID129247929
Molecular FormulaC17H21BrN4O2
Molecular Weight393.29 g/mol
Exact Mass392.08
IUPAC Name5-amino-3-(4-bromophenyl)-1-(4-hydroxy-4-methylcyclohexyl)pyrazole-4-carboxamide
SMILESCC1(O)CCC(n2nc(-c3ccc(Br)cc3)c(C(N)=O)c2N)CC1
InChIInChI=1S/C17H21BrN4O2/c1-17(24)8-6-12(7-9-17)22-15(19)13(16(20)23)14(21-22)10-2-4-11(18)5-3-10/h2-5,12,24H,6-9,19H2,1H3,(H2,20,23)
InChIKeyHKAKGHHYDDKKGB-UHFFFAOYSA-N
XLogP2.86
TPSA107.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.29
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-amino-3-(4-bromophenyl)-1-(4-hydroxy-4-methylcyclohexyl)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

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(4-bromophenyl)-1-(4-hydroxy-4-methylcyclohexyl)pyrazole-4-carboxamide?
The IUPAC name of 5-amino-3-(4-bromophenyl)-1-(4-hydroxy-4-methylcyclohexyl)pyrazole-4-carboxamide (CID 129247929) is 5-amino-3-(4-bromophenyl)-1-(4-hydroxy-4-methylcyclohexyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-3-(4-bromophenyl)-1-(4-hydroxy-4-methylcyclohexyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-3-(4-bromophenyl)-1-(4-hydroxy-4-methylcyclohexyl)pyrazole-4-carboxamide is CC1(O)CCC(n2nc(-c3ccc(Br)cc3)c(C(N)=O)c2N)CC1.
What is the InChIKey of 5-amino-3-(4-bromophenyl)-1-(4-hydroxy-4-methylcyclohexyl)pyrazole-4-carboxamide?
The InChIKey is HKAKGHHYDDKKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN4O2/c1-17(24)8-6-12(7-9-17)22-15(19)13(16(20)23)14(21-22)10-2-4-11(18)5-3-10/h2-5,12,24H,6-9,19H2,1H3,(H2,20,23).
What are the key properties of 5-amino-3-(4-bromophenyl)-1-(4-hydroxy-4-methylcyclohexyl)pyrazole-4-carboxamide?
5-amino-3-(4-bromophenyl)-1-(4-hydroxy-4-methylcyclohexyl)pyrazole-4-carboxamide has a molecular weight of 393.29 g/mol, XLogP of 2.86, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(4-bromophenyl)-1-(4-hydroxy-4-methylcyclohexyl)pyrazole-4-carboxamide is sourced from PubChem (CID 129247929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).