4-bromo-5-(2-methylpyrazol-3-yl)-N-(1-phenylpentan-2-yl)thiophene-2-carboxamide

C20H22BrN3OS — CID 58201475

IUPAC4-bromo-5-(2-methylpyrazol-3-yl)-N-(1-phenylpentan-2-yl)thiophene-2-carboxamide
SMILESCCCC(Cc1ccccc1)NC(=O)c1cc(Br)c(-c2ccnn2C)s1
InChIInChI=1S/C20H22BrN3OS/c1-3-7-15(12-14-8-5-4-6-9-14)23-20(25)18-13-16(21)19(26-18)17-10-11-22-24(17)2/h4-6,8-11,13,15H,3,7,12H2,1-2H3,(H,23,25)
InChIKeyVUECOLJLBJDKKC-UHFFFAOYSA-N
MW432.39 g/mol
LogP5.05
Rot. Bonds7

About 4-bromo-5-(2-methylpyrazol-3-yl)-N-(1-phenylpentan-2-yl)thiophene-2-carboxamide

4-bromo-5-(2-methylpyrazol-3-yl)-N-(1-phenylpentan-2-yl)thiophene-2-carboxamide (PubChem CID 58201475) has the molecular formula C20H22BrN3OS and a molecular weight of 432.39 g/mol. Its IUPAC name is 4-bromo-5-(2-methylpyrazol-3-yl)-N-(1-phenylpentan-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-bromo-5-(2-methylpyrazol-3-yl)-N-(1-phenylpentan-2-yl)thiophene-2-carboxamide
PubChem CID58201475
Molecular FormulaC20H22BrN3OS
Molecular Weight432.39 g/mol
Exact Mass431.07
IUPAC Name4-bromo-5-(2-methylpyrazol-3-yl)-N-(1-phenylpentan-2-yl)thiophene-2-carboxamide
SMILESCCCC(Cc1ccccc1)NC(=O)c1cc(Br)c(-c2ccnn2C)s1
InChIInChI=1S/C20H22BrN3OS/c1-3-7-15(12-14-8-5-4-6-9-14)23-20(25)18-13-16(21)19(26-18)17-10-11-22-24(17)2/h4-6,8-11,13,15H,3,7,12H2,1-2H3,(H,23,25)
InChIKeyVUECOLJLBJDKKC-UHFFFAOYSA-N
XLogP5.05
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.39
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-[[4-bromo-5-(2-methylpyrazol-3-yl)thiophene-2-carbonyl]amino]-3-phenylpropyl]carbamate
CID 91528949
4-bromo-5-chloro-N-[(2R)-1-phenylpentan-2-yl]thiophene-2-carboxamide
CID 58201566
N-(1-amino-3-methyl-3-phenylbutan-2-yl)-4-bromo-5-(2-methylpyrazol-3-yl)thiophene-2-carboxamide
CID 24994688
N-(1-amino-3-phenylpropan-2-yl)-5-chloro-4-(2-methylpyrazol-3-yl)thiophene-2-carboxamide
CID 24993446
N-(1-amino-3-phenylpropan-2-yl)-3-bromo-4-(2-methylpyrazol-3-yl)benzamide
CID 25050984
N-(1-amino-3-phenylpropan-2-yl)-3-methyl-4-(2-methylpyrazol-3-yl)benzamide
CID 25050634
tert-butyl-[2-[(4,5-dibromothiophene-2-carbonyl)amino]-3-phenylpropyl]carbamic acid
CID 67066198
N-(4,4-dimethyl-1-phenylpentan-2-yl)-2-(furan-3-yl)-5-(2-methylpyrazol-3-yl)thiophene-3-carboxamide
CID 118074782
(2S)-2-amino-N-(1-phenylpentan-2-yl)propanamide
CID 119317190
tert-butyl N-[2-[[5-(2-methylpyrazol-3-yl)thiophene-3-carbonyl]amino]-3-phenylpropyl]carbamate
CID 58172923
4-[2-(2-methylpyrazol-3-yl)propanoylamino]-5-phenylpentanoic acid
CID 122111365
[(2S)-2-[(4-bromo-5-chlorothiophene-2-carbonyl)amino]-3-phenylpropyl]-tert-butylcarbamic acid
CID 67066250

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(2-methylpyrazol-3-yl)-N-(1-phenylpentan-2-yl)thiophene-2-carboxamide?
The IUPAC name of 4-bromo-5-(2-methylpyrazol-3-yl)-N-(1-phenylpentan-2-yl)thiophene-2-carboxamide (CID 58201475) is 4-bromo-5-(2-methylpyrazol-3-yl)-N-(1-phenylpentan-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for 4-bromo-5-(2-methylpyrazol-3-yl)-N-(1-phenylpentan-2-yl)thiophene-2-carboxamide?
The canonical SMILES for 4-bromo-5-(2-methylpyrazol-3-yl)-N-(1-phenylpentan-2-yl)thiophene-2-carboxamide is CCCC(Cc1ccccc1)NC(=O)c1cc(Br)c(-c2ccnn2C)s1.
What is the InChIKey of 4-bromo-5-(2-methylpyrazol-3-yl)-N-(1-phenylpentan-2-yl)thiophene-2-carboxamide?
The InChIKey is VUECOLJLBJDKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22BrN3OS/c1-3-7-15(12-14-8-5-4-6-9-14)23-20(25)18-13-16(21)19(26-18)17-10-11-22-24(17)2/h4-6,8-11,13,15H,3,7,12H2,1-2H3,(H,23,25).
What are the key properties of 4-bromo-5-(2-methylpyrazol-3-yl)-N-(1-phenylpentan-2-yl)thiophene-2-carboxamide?
4-bromo-5-(2-methylpyrazol-3-yl)-N-(1-phenylpentan-2-yl)thiophene-2-carboxamide has a molecular weight of 432.39 g/mol, XLogP of 5.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-(2-methylpyrazol-3-yl)-N-(1-phenylpentan-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 58201475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).