N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide

C11H15F3N4O — CID 55227640

IUPACN-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCc1[nH]ncc1CNC(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C11H15F3N4O/c1-7-8(5-17-18-7)4-16-9(19)10(11(12,13)14)2-3-15-6-10/h5,15H,2-4,6H2,1H3,(H,16,19)(H,17,18)
InChIKeyPXVISUBUYVJWHH-UHFFFAOYSA-N
MW276.26 g/mol
LogP0.88
Rot. Bonds3

About N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 55227640) has the molecular formula C11H15F3N4O and a molecular weight of 276.26 g/mol. Its IUPAC name is N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID55227640
Molecular FormulaC11H15F3N4O
Molecular Weight276.26 g/mol
Exact Mass276.12
IUPAC NameN-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCc1[nH]ncc1CNC(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C11H15F3N4O/c1-7-8(5-17-18-7)4-16-9(19)10(11(12,13)14)2-3-15-6-10/h5,15H,2-4,6H2,1H3,(H,16,19)(H,17,18)
InChIKeyPXVISUBUYVJWHH-UHFFFAOYSA-N
XLogP0.88
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 55227640) is N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide is Cc1[nH]ncc1CNC(=O)C1(C(F)(F)F)CCNC1.
What is the InChIKey of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is PXVISUBUYVJWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O/c1-7-8(5-17-18-7)4-16-9(19)10(11(12,13)14)2-3-15-6-10/h5,15H,2-4,6H2,1H3,(H,16,19)(H,17,18).
What are the key properties of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 276.26 g/mol, XLogP of 0.88, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 55227640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).