N-[1-(4-bromophenyl)propan-2-yl]-5-propyl-1H-pyrazole-3-carboxamide

C16H20BrN3O — CID 55717161

IUPACN-[1-(4-bromophenyl)propan-2-yl]-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1cc(C(=O)NC(C)Cc2ccc(Br)cc2)n[nH]1
InChIInChI=1S/C16H20BrN3O/c1-3-4-14-10-15(20-19-14)16(21)18-11(2)9-12-5-7-13(17)8-6-12/h5-8,10-11H,3-4,9H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyGHSDIOQNMDTLGV-UHFFFAOYSA-N
MW350.26 g/mol
LogP3.49
Rot. Bonds6

About N-[1-(4-bromophenyl)propan-2-yl]-5-propyl-1H-pyrazole-3-carboxamide

N-[1-(4-bromophenyl)propan-2-yl]-5-propyl-1H-pyrazole-3-carboxamide (PubChem CID 55717161) has the molecular formula C16H20BrN3O and a molecular weight of 350.26 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)propan-2-yl]-5-propyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)propan-2-yl]-5-propyl-1H-pyrazole-3-carboxamide
PubChem CID55717161
Molecular FormulaC16H20BrN3O
Molecular Weight350.26 g/mol
Exact Mass349.08
IUPAC NameN-[1-(4-bromophenyl)propan-2-yl]-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1cc(C(=O)NC(C)Cc2ccc(Br)cc2)n[nH]1
InChIInChI=1S/C16H20BrN3O/c1-3-4-14-10-15(20-19-14)16(21)18-11(2)9-12-5-7-13(17)8-6-12/h5-8,10-11H,3-4,9H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyGHSDIOQNMDTLGV-UHFFFAOYSA-N
XLogP3.49
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-bromophenyl)propan-2-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 47210931
5-propyl-N-[(2R)-1-pyrazin-2-ylpropan-2-yl]-1H-pyrazole-3-carboxamide
CID 97118223
(2S)-3-methyl-2-[(5-propyl-1H-pyrazole-3-carbonyl)amino]butanoic acid
CID 97209644
5-bromo-N-[1-(4-bromophenyl)propan-2-yl]pyridine-2-carboxamide
CID 62953884
4-bromo-N-[1-(4-bromophenyl)propan-2-yl]-1H-pyrrole-2-carboxamide
CID 47210992
N-[1-(4-bromophenyl)propan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 112842470
N-[1-(4-bromophenyl)propan-2-yl]-4-chloropyridine-2-carboxamide
CID 55716947
N-[1-(4-bromophenyl)propan-2-yl]-5-hydroxypyridine-3-carboxamide
CID 63860266
N-[2-(4-bromophenyl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 112529158
N-[[4-(ethylcarbamoyl)phenyl]methyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 87045448
N-[(2S)-2-(3-bromophenyl)-2-hydroxyethyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 138993451
5-bromo-2-fluoro-N-[1-(4-fluorophenyl)propan-2-yl]benzamide
CID 60795149

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)propan-2-yl]-5-propyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[1-(4-bromophenyl)propan-2-yl]-5-propyl-1H-pyrazole-3-carboxamide (CID 55717161) is N-[1-(4-bromophenyl)propan-2-yl]-5-propyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[1-(4-bromophenyl)propan-2-yl]-5-propyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[1-(4-bromophenyl)propan-2-yl]-5-propyl-1H-pyrazole-3-carboxamide is CCCc1cc(C(=O)NC(C)Cc2ccc(Br)cc2)n[nH]1.
What is the InChIKey of N-[1-(4-bromophenyl)propan-2-yl]-5-propyl-1H-pyrazole-3-carboxamide?
The InChIKey is GHSDIOQNMDTLGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3O/c1-3-4-14-10-15(20-19-14)16(21)18-11(2)9-12-5-7-13(17)8-6-12/h5-8,10-11H,3-4,9H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of N-[1-(4-bromophenyl)propan-2-yl]-5-propyl-1H-pyrazole-3-carboxamide?
N-[1-(4-bromophenyl)propan-2-yl]-5-propyl-1H-pyrazole-3-carboxamide has a molecular weight of 350.26 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)propan-2-yl]-5-propyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 55717161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).