3-amino-N-[2-(3-bromophenyl)-5-methylpyrazol-3-yl]cyclohexane-1-carboxamide

C17H21BrN4O — CID 119729398

IUPAC3-amino-N-[2-(3-bromophenyl)-5-methylpyrazol-3-yl]cyclohexane-1-carboxamide
SMILESCc1cc(NC(=O)C2CCCC(N)C2)n(-c2cccc(Br)c2)n1
InChIInChI=1S/C17H21BrN4O/c1-11-8-16(20-17(23)12-4-2-6-14(19)9-12)22(21-11)15-7-3-5-13(18)10-15/h3,5,7-8,10,12,14H,2,4,6,9,19H2,1H3,(H,20,23)
InChIKeyJAJQNZRZUNJASB-UHFFFAOYSA-N
MW377.29 g/mol
LogP3.40
Rot. Bonds3

About 3-amino-N-[2-(3-bromophenyl)-5-methylpyrazol-3-yl]cyclohexane-1-carboxamide

3-amino-N-[2-(3-bromophenyl)-5-methylpyrazol-3-yl]cyclohexane-1-carboxamide (PubChem CID 119729398) has the molecular formula C17H21BrN4O and a molecular weight of 377.29 g/mol. Its IUPAC name is 3-amino-N-[2-(3-bromophenyl)-5-methylpyrazol-3-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-(3-bromophenyl)-5-methylpyrazol-3-yl]cyclohexane-1-carboxamide
PubChem CID119729398
Molecular FormulaC17H21BrN4O
Molecular Weight377.29 g/mol
Exact Mass376.09
IUPAC Name3-amino-N-[2-(3-bromophenyl)-5-methylpyrazol-3-yl]cyclohexane-1-carboxamide
SMILESCc1cc(NC(=O)C2CCCC(N)C2)n(-c2cccc(Br)c2)n1
InChIInChI=1S/C17H21BrN4O/c1-11-8-16(20-17(23)12-4-2-6-14(19)9-12)22(21-11)15-7-3-5-13(18)10-15/h3,5,7-8,10,12,14H,2,4,6,9,19H2,1H3,(H,20,23)
InChIKeyJAJQNZRZUNJASB-UHFFFAOYSA-N
XLogP3.40
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.29
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(3-bromophenyl)-5-methylpyrazol-3-yl]cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-[2-(3-bromophenyl)-5-methylpyrazol-3-yl]cyclohexane-1-carboxamide (CID 119729398) is 3-amino-N-[2-(3-bromophenyl)-5-methylpyrazol-3-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[2-(3-bromophenyl)-5-methylpyrazol-3-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-[2-(3-bromophenyl)-5-methylpyrazol-3-yl]cyclohexane-1-carboxamide is Cc1cc(NC(=O)C2CCCC(N)C2)n(-c2cccc(Br)c2)n1.
What is the InChIKey of 3-amino-N-[2-(3-bromophenyl)-5-methylpyrazol-3-yl]cyclohexane-1-carboxamide?
The InChIKey is JAJQNZRZUNJASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN4O/c1-11-8-16(20-17(23)12-4-2-6-14(19)9-12)22(21-11)15-7-3-5-13(18)10-15/h3,5,7-8,10,12,14H,2,4,6,9,19H2,1H3,(H,20,23).
What are the key properties of 3-amino-N-[2-(3-bromophenyl)-5-methylpyrazol-3-yl]cyclohexane-1-carboxamide?
3-amino-N-[2-(3-bromophenyl)-5-methylpyrazol-3-yl]cyclohexane-1-carboxamide has a molecular weight of 377.29 g/mol, XLogP of 3.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(3-bromophenyl)-5-methylpyrazol-3-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119729398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).