N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-2-carboxamide;hydrochloride

C10H14ClF3N4O — CID 119330563

IUPACN-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1cnn(CC(F)(F)F)c1)C1CCCN1
InChIInChI=1S/C10H13F3N4O.ClH/c11-10(12,13)6-17-5-7(4-15-17)16-9(18)8-2-1-3-14-8;/h4-5,8,14H,1-3,6H2,(H,16,18);1H
InChIKeyGHMNKOBRMJEEMG-UHFFFAOYSA-N
MW298.70 g/mol
LogP1.56
Rot. Bonds3

About N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-2-carboxamide;hydrochloride

N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119330563) has the molecular formula C10H14ClF3N4O and a molecular weight of 298.70 g/mol. Its IUPAC name is N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119330563
Molecular FormulaC10H14ClF3N4O
Molecular Weight298.70 g/mol
Exact Mass298.08
IUPAC NameN-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1cnn(CC(F)(F)F)c1)C1CCCN1
InChIInChI=1S/C10H13F3N4O.ClH/c11-10(12,13)6-17-5-7(4-15-17)16-9(18)8-2-1-3-14-8;/h4-5,8,14H,1-3,6H2,(H,16,18);1H
InChIKeyGHMNKOBRMJEEMG-UHFFFAOYSA-N
XLogP1.56
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.70
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-2-carboxamide;hydrochloride (CID 119330563) is N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-2-carboxamide;hydrochloride is Cl.O=C(Nc1cnn(CC(F)(F)F)c1)C1CCCN1.
What is the InChIKey of N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is GHMNKOBRMJEEMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4O.ClH/c11-10(12,13)6-17-5-7(4-15-17)16-9(18)8-2-1-3-14-8;/h4-5,8,14H,1-3,6H2,(H,16,18);1H.
What are the key properties of N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-2-carboxamide;hydrochloride?
N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 298.70 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119330563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).