N-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]pyrrolidine-3-carboxamide;hydrochloride

C15H16ClF3N4O — CID 119785591

IUPACN-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1cnn(-c2cccc(C(F)(F)F)c2)c1)C1CCNC1
InChIInChI=1S/C15H15F3N4O.ClH/c16-15(17,18)11-2-1-3-13(6-11)22-9-12(8-20-22)21-14(23)10-4-5-19-7-10;/h1-3,6,8-10,19H,4-5,7H2,(H,21,23);1H
InChIKeyNONQAOXJSLIECG-UHFFFAOYSA-N
MW360.77 g/mol
LogP2.86
Rot. Bonds3

About N-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]pyrrolidine-3-carboxamide;hydrochloride

N-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119785591) has the molecular formula C15H16ClF3N4O and a molecular weight of 360.77 g/mol. Its IUPAC name is N-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]pyrrolidine-3-carboxamide;hydrochloride
PubChem CID119785591
Molecular FormulaC15H16ClF3N4O
Molecular Weight360.77 g/mol
Exact Mass360.10
IUPAC NameN-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1cnn(-c2cccc(C(F)(F)F)c2)c1)C1CCNC1
InChIInChI=1S/C15H15F3N4O.ClH/c16-15(17,18)11-2-1-3-13(6-11)22-9-12(8-20-22)21-14(23)10-4-5-19-7-10;/h1-3,6,8-10,19H,4-5,7H2,(H,21,23);1H
InChIKeyNONQAOXJSLIECG-UHFFFAOYSA-N
XLogP2.86
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.77
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]pyrrolidine-3-carboxamide;hydrochloride (CID 119785591) is N-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]pyrrolidine-3-carboxamide;hydrochloride is Cl.O=C(Nc1cnn(-c2cccc(C(F)(F)F)c2)c1)C1CCNC1.
What is the InChIKey of N-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is NONQAOXJSLIECG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N4O.ClH/c16-15(17,18)11-2-1-3-13(6-11)22-9-12(8-20-22)21-14(23)10-4-5-19-7-10;/h1-3,6,8-10,19H,4-5,7H2,(H,21,23);1H.
What are the key properties of N-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]pyrrolidine-3-carboxamide;hydrochloride?
N-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 360.77 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119785591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).