5-cyclopropyl-N-methyl-N-pyrrolidin-3-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide;hydrochloride

C19H22ClF3N4O — CID 119550146

IUPAC5-cyclopropyl-N-methyl-N-pyrrolidin-3-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide;hydrochloride
SMILESCN(C(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C1CC1)C1CCNC1.Cl
InChIInChI=1S/C19H21F3N4O.ClH/c1-25(15-7-8-23-10-15)18(27)16-11-24-26(17(16)12-5-6-12)14-4-2-3-13(9-14)19(20,21)22;/h2-4,9,11-12,15,23H,5-8,10H2,1H3;1H
InChIKeyCIXCBOSAAJPMQY-UHFFFAOYSA-N
MW414.86 g/mol
LogP3.62
Rot. Bonds4

About 5-cyclopropyl-N-methyl-N-pyrrolidin-3-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide;hydrochloride

5-cyclopropyl-N-methyl-N-pyrrolidin-3-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide;hydrochloride (PubChem CID 119550146) has the molecular formula C19H22ClF3N4O and a molecular weight of 414.86 g/mol. Its IUPAC name is 5-cyclopropyl-N-methyl-N-pyrrolidin-3-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-cyclopropyl-N-methyl-N-pyrrolidin-3-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide;hydrochloride
PubChem CID119550146
Molecular FormulaC19H22ClF3N4O
Molecular Weight414.86 g/mol
Exact Mass414.14
IUPAC Name5-cyclopropyl-N-methyl-N-pyrrolidin-3-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide;hydrochloride
SMILESCN(C(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C1CC1)C1CCNC1.Cl
InChIInChI=1S/C19H21F3N4O.ClH/c1-25(15-7-8-23-10-15)18(27)16-11-24-26(17(16)12-5-6-12)14-4-2-3-13(9-14)19(20,21)22;/h2-4,9,11-12,15,23H,5-8,10H2,1H3;1H
InChIKeyCIXCBOSAAJPMQY-UHFFFAOYSA-N
XLogP3.62
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.86
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-methyl-N-pyrrolidin-3-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide;hydrochloride?
The IUPAC name of 5-cyclopropyl-N-methyl-N-pyrrolidin-3-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide;hydrochloride (CID 119550146) is 5-cyclopropyl-N-methyl-N-pyrrolidin-3-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 5-cyclopropyl-N-methyl-N-pyrrolidin-3-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for 5-cyclopropyl-N-methyl-N-pyrrolidin-3-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide;hydrochloride is CN(C(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C1CC1)C1CCNC1.Cl.
What is the InChIKey of 5-cyclopropyl-N-methyl-N-pyrrolidin-3-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide;hydrochloride?
The InChIKey is CIXCBOSAAJPMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O.ClH/c1-25(15-7-8-23-10-15)18(27)16-11-24-26(17(16)12-5-6-12)14-4-2-3-13(9-14)19(20,21)22;/h2-4,9,11-12,15,23H,5-8,10H2,1H3;1H.
What are the key properties of 5-cyclopropyl-N-methyl-N-pyrrolidin-3-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide;hydrochloride?
5-cyclopropyl-N-methyl-N-pyrrolidin-3-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide;hydrochloride has a molecular weight of 414.86 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-methyl-N-pyrrolidin-3-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119550146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).