4-chloro-1-ethyl-N-[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]pyrrole-2-carboxamide

C13H14ClF3N4O — CID 146106273

IUPAC4-chloro-1-ethyl-N-[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]pyrrole-2-carboxamide
SMILESCCn1cc(Cl)cc1C(=O)Nc1cnn(CC)c1C(F)(F)F
InChIInChI=1S/C13H14ClF3N4O/c1-3-20-7-8(14)5-10(20)12(22)19-9-6-18-21(4-2)11(9)13(15,16)17/h5-7H,3-4H2,1-2H3,(H,19,22)
InChIKeyCBPVNJYKOYUPCZ-UHFFFAOYSA-N
MW334.73 g/mol
LogP3.65
Rot. Bonds4

About 4-chloro-1-ethyl-N-[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]pyrrole-2-carboxamide

4-chloro-1-ethyl-N-[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]pyrrole-2-carboxamide (PubChem CID 146106273) has the molecular formula C13H14ClF3N4O and a molecular weight of 334.73 g/mol. Its IUPAC name is 4-chloro-1-ethyl-N-[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-1-ethyl-N-[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]pyrrole-2-carboxamide
PubChem CID146106273
Molecular FormulaC13H14ClF3N4O
Molecular Weight334.73 g/mol
Exact Mass334.08
IUPAC Name4-chloro-1-ethyl-N-[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]pyrrole-2-carboxamide
SMILESCCn1cc(Cl)cc1C(=O)Nc1cnn(CC)c1C(F)(F)F
InChIInChI=1S/C13H14ClF3N4O/c1-3-20-7-8(14)5-10(20)12(22)19-9-6-18-21(4-2)11(9)13(15,16)17/h5-7H,3-4H2,1-2H3,(H,19,22)
InChIKeyCBPVNJYKOYUPCZ-UHFFFAOYSA-N
XLogP3.65
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.73
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-amino-2-fluorophenyl)-4-chloro-1-ethylpyrrole-2-carboxamide
CID 43639503
N-(4-bromo-2-fluorophenyl)-4-chloro-1-ethylpyrrole-2-carboxamide
CID 43639461
4-chloro-N-[5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-ethylpyrazol-4-yl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19268106
N-(2-bromo-3-pyridinyl)-4-chloro-1-ethylpyrrole-2-carboxamide
CID 114051836
N-(3-bromo-5-methylphenyl)-4-chloro-1-ethylpyrrole-2-carboxamide
CID 107583826
4-chloro-N-(2,2-difluoro-3-hydroxypropyl)-1-ethylpyrrole-2-carboxamide
CID 114153098
2-[(4-chloro-1-ethylpyrrole-2-carbonyl)amino]-2-methylpropanoic acid
CID 61262853
4-chloro-1-ethyl-N-[4-(hydroxymethyl)phenyl]pyrrole-2-carboxamide
CID 64794682
3-[[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]carbamoylamino]cyclobutane-1-carboxylic acid
CID 154781408
2-[5-[(4-chloro-1-ethylpyrrole-2-carbonyl)amino]-2-pyridinyl]acetic acid
CID 107338885
(2R,6S)-N-[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-4-carboxamide
CID 128625396
4-chloro-1-ethyl-N-(1-hydroxy-2-methylbutan-2-yl)pyrrole-2-carboxamide
CID 64557195

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-ethyl-N-[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]pyrrole-2-carboxamide?
The IUPAC name of 4-chloro-1-ethyl-N-[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]pyrrole-2-carboxamide (CID 146106273) is 4-chloro-1-ethyl-N-[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]pyrrole-2-carboxamide.
What is the SMILES notation for 4-chloro-1-ethyl-N-[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]pyrrole-2-carboxamide?
The canonical SMILES for 4-chloro-1-ethyl-N-[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]pyrrole-2-carboxamide is CCn1cc(Cl)cc1C(=O)Nc1cnn(CC)c1C(F)(F)F.
What is the InChIKey of 4-chloro-1-ethyl-N-[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]pyrrole-2-carboxamide?
The InChIKey is CBPVNJYKOYUPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClF3N4O/c1-3-20-7-8(14)5-10(20)12(22)19-9-6-18-21(4-2)11(9)13(15,16)17/h5-7H,3-4H2,1-2H3,(H,19,22).
What are the key properties of 4-chloro-1-ethyl-N-[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]pyrrole-2-carboxamide?
4-chloro-1-ethyl-N-[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]pyrrole-2-carboxamide has a molecular weight of 334.73 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-ethyl-N-[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]pyrrole-2-carboxamide is sourced from PubChem (CID 146106273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).