1-methyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrrole-2-carboxamide

C13H15F3N4O — CID 91774793

IUPAC1-methyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrrole-2-carboxamide
SMILESCc1cc(C(F)(F)F)nn1CCNC(=O)c1cccn1C
InChIInChI=1S/C13H15F3N4O/c1-9-8-11(13(14,15)16)18-20(9)7-5-17-12(21)10-4-3-6-19(10)2/h3-4,6,8H,5,7H2,1-2H3,(H,17,21)
InChIKeyUVPRCHLBGKZPGA-UHFFFAOYSA-N
MW300.28 g/mol
LogP1.98
Rot. Bonds4

About 1-methyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrrole-2-carboxamide

1-methyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrrole-2-carboxamide (PubChem CID 91774793) has the molecular formula C13H15F3N4O and a molecular weight of 300.28 g/mol. Its IUPAC name is 1-methyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrrole-2-carboxamide
PubChem CID91774793
Molecular FormulaC13H15F3N4O
Molecular Weight300.28 g/mol
Exact Mass300.12
IUPAC Name1-methyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrrole-2-carboxamide
SMILESCc1cc(C(F)(F)F)nn1CCNC(=O)c1cccn1C
InChIInChI=1S/C13H15F3N4O/c1-9-8-11(13(14,15)16)18-20(9)7-5-17-12(21)10-4-3-6-19(10)2/h3-4,6,8H,5,7H2,1-2H3,(H,17,21)
InChIKeyUVPRCHLBGKZPGA-UHFFFAOYSA-N
XLogP1.98
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.28
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-phenylpropanamide
CID 91836285
N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]thiophene-2-carboxamide
CID 2225442
(2S)-2-amino-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-phenylpropanamide;hydrochloride
CID 154903187
N-(2-hydroxyethyl)-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19566161
N-(1-methylpyrazol-3-yl)-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19563695
5-(4-fluorophenyl)-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-1,2-oxazole-3-carboxamide
CID 19295789
ethane;1-methyl-N-propylpyrrole-2-carboxamide
CID 143101069
2-(2,3-dihydro-1H-inden-1-yl)-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide
CID 70734709
2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide
CID 97125496
1-tert-butyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-5-oxopyrrolidine-3-carboxamide
CID 70787550
(2S)-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-5-oxopyrrolidine-2-carboxamide
CID 91776394
N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19283141

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrrole-2-carboxamide?
The IUPAC name of 1-methyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrrole-2-carboxamide (CID 91774793) is 1-methyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrrole-2-carboxamide.
What is the SMILES notation for 1-methyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrrole-2-carboxamide?
The canonical SMILES for 1-methyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrrole-2-carboxamide is Cc1cc(C(F)(F)F)nn1CCNC(=O)c1cccn1C.
What is the InChIKey of 1-methyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrrole-2-carboxamide?
The InChIKey is UVPRCHLBGKZPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N4O/c1-9-8-11(13(14,15)16)18-20(9)7-5-17-12(21)10-4-3-6-19(10)2/h3-4,6,8H,5,7H2,1-2H3,(H,17,21).
What are the key properties of 1-methyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrrole-2-carboxamide?
1-methyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrrole-2-carboxamide has a molecular weight of 300.28 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrrole-2-carboxamide is sourced from PubChem (CID 91774793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).