N-(2-bromoprop-2-enyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide

C14H13BrFN3O — CID 47438698

IUPACN-(2-bromoprop-2-enyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
SMILESC=C(Br)CNC(=O)c1cnn(-c2ccc(F)cc2)c1C
InChIInChI=1S/C14H13BrFN3O/c1-9(15)7-17-14(20)13-8-18-19(10(13)2)12-5-3-11(16)4-6-12/h3-6,8H,1,7H2,2H3,(H,17,20)
InChIKeyHHGKRITWPOZDAL-UHFFFAOYSA-N
MW338.18 g/mol
LogP2.96
Rot. Bonds4

About N-(2-bromoprop-2-enyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide

N-(2-bromoprop-2-enyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide (PubChem CID 47438698) has the molecular formula C14H13BrFN3O and a molecular weight of 338.18 g/mol. Its IUPAC name is N-(2-bromoprop-2-enyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-bromoprop-2-enyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
PubChem CID47438698
Molecular FormulaC14H13BrFN3O
Molecular Weight338.18 g/mol
Exact Mass337.02
IUPAC NameN-(2-bromoprop-2-enyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
SMILESC=C(Br)CNC(=O)c1cnn(-c2ccc(F)cc2)c1C
InChIInChI=1S/C14H13BrFN3O/c1-9(15)7-17-14(20)13-8-18-19(10(13)2)12-5-3-11(16)4-6-12/h3-6,8H,1,7H2,2H3,(H,17,20)
InChIKeyHHGKRITWPOZDAL-UHFFFAOYSA-N
XLogP2.96
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.18
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-methylpropyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 119627135
1-(4-fluorophenyl)-5-methyl-N-(2-methylbutan-2-yl)pyrazole-4-carboxamide
CID 37133499
1-(4-fluorophenyl)-5-methyl-N-(2-piperazin-1-ylethyl)pyrazole-4-carboxamide
CID 119446091
1-(4-fluorophenyl)-5-methyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119461195
1-(4-fluorophenyl)-N-iodo-5-methyl-N-propylpyrazole-4-carboxamide
CID 142010489
N-[2-(4-chlorophenoxy)ethyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 39627748
N-(5-fluoro-2-methylphenyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 46583862
N-[4-(diethylcarbamoyl)phenyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 39694099
4-[[[1-(4-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]methyl]oxane-4-carboxylic acid
CID 120542330
N-[(3-carbamoylphenyl)methyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 32637806
N-[2-(diethylamino)-2-phenylethyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 46578214
2-[[1-(4-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]-3-methylbutanoic acid
CID 119170322

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoprop-2-enyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide?
The IUPAC name of N-(2-bromoprop-2-enyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide (CID 47438698) is N-(2-bromoprop-2-enyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2-bromoprop-2-enyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide?
The canonical SMILES for N-(2-bromoprop-2-enyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide is C=C(Br)CNC(=O)c1cnn(-c2ccc(F)cc2)c1C.
What is the InChIKey of N-(2-bromoprop-2-enyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide?
The InChIKey is HHGKRITWPOZDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFN3O/c1-9(15)7-17-14(20)13-8-18-19(10(13)2)12-5-3-11(16)4-6-12/h3-6,8H,1,7H2,2H3,(H,17,20).
What are the key properties of N-(2-bromoprop-2-enyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide?
N-(2-bromoprop-2-enyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide has a molecular weight of 338.18 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoprop-2-enyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide is sourced from PubChem (CID 47438698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).