N-(3-bromophenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide

C14H16BrN3O — CID 55741020

IUPACN-(3-bromophenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
SMILESCC(C)Cc1cc(C(=O)Nc2cccc(Br)c2)n[nH]1
InChIInChI=1S/C14H16BrN3O/c1-9(2)6-12-8-13(18-17-12)14(19)16-11-5-3-4-10(15)7-11/h3-5,7-9H,6H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyHJTPHJJNSMCDHK-UHFFFAOYSA-N
MW322.21 g/mol
LogP3.62
Rot. Bonds4

About N-(3-bromophenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide

N-(3-bromophenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide (PubChem CID 55741020) has the molecular formula C14H16BrN3O and a molecular weight of 322.21 g/mol. Its IUPAC name is N-(3-bromophenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
PubChem CID55741020
Molecular FormulaC14H16BrN3O
Molecular Weight322.21 g/mol
Exact Mass321.05
IUPAC NameN-(3-bromophenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
SMILESCC(C)Cc1cc(C(=O)Nc2cccc(Br)c2)n[nH]1
InChIInChI=1S/C14H16BrN3O/c1-9(2)6-12-8-13(18-17-12)14(19)16-11-5-3-4-10(15)7-11/h3-5,7-9H,6H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyHJTPHJJNSMCDHK-UHFFFAOYSA-N
XLogP3.62
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2-methylpropyl)-N-[3-(2-methylpropylcarbamoyl)phenyl]-1H-pyrazole-3-carboxamide
CID 131931699
N-(4-chlorophenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 55741644
N-[4-(diethylamino)phenyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 55910471
N-(3-chloro-2-methylphenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 55741814
N-[4-(difluoromethoxy)phenyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 55738892
N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 131939383
N-(3-acetamidophenyl)-5-propyl-1H-pyrazole-3-carboxamide
CID 36709127
N-(3-acetamidophenyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 47292628
N'-(2-methylpropanoyl)-5-(2-methylpropyl)-1H-pyrazole-3-carbohydrazide
CID 78879143
N-(5-chloro-2-methylphenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 55738543
N-(1H-benzimidazol-2-yl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 60540872
5-(2-methylpropyl)-N-(6-phenylmethoxy-3-pyridinyl)-1H-pyrazole-3-carboxamide
CID 55993733

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(3-bromophenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide (CID 55741020) is N-(3-bromophenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(3-bromophenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(3-bromophenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide is CC(C)Cc1cc(C(=O)Nc2cccc(Br)c2)n[nH]1.
What is the InChIKey of N-(3-bromophenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide?
The InChIKey is HJTPHJJNSMCDHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O/c1-9(2)6-12-8-13(18-17-12)14(19)16-11-5-3-4-10(15)7-11/h3-5,7-9H,6H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of N-(3-bromophenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide?
N-(3-bromophenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide has a molecular weight of 322.21 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 55741020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).