N-(cyclopropylmethyl)-5-pyrrol-1-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide

C19H17F3N4O — CID 37036339

IUPACN-(cyclopropylmethyl)-5-pyrrol-1-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
SMILESO=C(NCC1CC1)c1cnn(-c2cccc(C(F)(F)F)c2)c1-n1cccc1
InChIInChI=1S/C19H17F3N4O/c20-19(21,22)14-4-3-5-15(10-14)26-18(25-8-1-2-9-25)16(12-24-26)17(27)23-11-13-6-7-13/h1-5,8-10,12-13H,6-7,11H2,(H,23,27)
InChIKeyLXOLCQWTTWEPDY-UHFFFAOYSA-N
MW374.37 g/mol
LogP3.82
Rot. Bonds5

About N-(cyclopropylmethyl)-5-pyrrol-1-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide

N-(cyclopropylmethyl)-5-pyrrol-1-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide (PubChem CID 37036339) has the molecular formula C19H17F3N4O and a molecular weight of 374.37 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-5-pyrrol-1-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-5-pyrrol-1-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
PubChem CID37036339
Molecular FormulaC19H17F3N4O
Molecular Weight374.37 g/mol
Exact Mass374.14
IUPAC NameN-(cyclopropylmethyl)-5-pyrrol-1-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
SMILESO=C(NCC1CC1)c1cnn(-c2cccc(C(F)(F)F)c2)c1-n1cccc1
InChIInChI=1S/C19H17F3N4O/c20-19(21,22)14-4-3-5-15(10-14)26-18(25-8-1-2-9-25)16(12-24-26)17(27)23-11-13-6-7-13/h1-5,8-10,12-13H,6-7,11H2,(H,23,27)
InChIKeyLXOLCQWTTWEPDY-UHFFFAOYSA-N
XLogP3.82
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.37
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-pyridin-2-ylethyl)-5-pyrrol-1-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 39898328
5-cyclopropyl-N-(piperidin-3-ylmethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide;hydrochloride
CID 119460053
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-pyrrol-1-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 55577902
N-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]-5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 52790105
N-(cyclobutylmethyl)-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 33383595
N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-5-pyrrol-1-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 55583430
5-cyclopropyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 120944942
5-cyclopropyl-N-[(3,5-difluorophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 55609641
[(2R)-2-methylmorpholin-4-yl]-[5-pyrrol-1-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methanone
CID 39699339
(4-methyl-1,4-diazepan-1-yl)-[5-pyrrol-1-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methanone
CID 78851778
N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20936812
N-ethyl-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 51335286

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-5-pyrrol-1-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-5-pyrrol-1-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide (CID 37036339) is N-(cyclopropylmethyl)-5-pyrrol-1-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-5-pyrrol-1-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-5-pyrrol-1-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide is O=C(NCC1CC1)c1cnn(-c2cccc(C(F)(F)F)c2)c1-n1cccc1.
What is the InChIKey of N-(cyclopropylmethyl)-5-pyrrol-1-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
The InChIKey is LXOLCQWTTWEPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O/c20-19(21,22)14-4-3-5-15(10-14)26-18(25-8-1-2-9-25)16(12-24-26)17(27)23-11-13-6-7-13/h1-5,8-10,12-13H,6-7,11H2,(H,23,27).
What are the key properties of N-(cyclopropylmethyl)-5-pyrrol-1-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
N-(cyclopropylmethyl)-5-pyrrol-1-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide has a molecular weight of 374.37 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-5-pyrrol-1-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 37036339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).