N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide

C17H19F3N4O2 — CID 119044376

IUPACN-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
SMILESO=C(NCc1cccnc1OC1CCCC1)c1cnn(CC(F)(F)F)c1
InChIInChI=1S/C17H19F3N4O2/c18-17(19,20)11-24-10-13(9-23-24)15(25)22-8-12-4-3-7-21-16(12)26-14-5-1-2-6-14/h3-4,7,9-10,14H,1-2,5-6,8,11H2,(H,22,25)
InChIKeyDXPLKXFUFCKWGR-UHFFFAOYSA-N
MW368.36 g/mol
LogP3.09
Rot. Bonds6

About N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide

N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide (PubChem CID 119044376) has the molecular formula C17H19F3N4O2 and a molecular weight of 368.36 g/mol. Its IUPAC name is N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
PubChem CID119044376
Molecular FormulaC17H19F3N4O2
Molecular Weight368.36 g/mol
Exact Mass368.15
IUPAC NameN-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
SMILESO=C(NCc1cccnc1OC1CCCC1)c1cnn(CC(F)(F)F)c1
InChIInChI=1S/C17H19F3N4O2/c18-17(19,20)11-24-10-13(9-23-24)15(25)22-8-12-4-3-7-21-16(12)26-14-5-1-2-6-14/h3-4,7,9-10,14H,1-2,5-6,8,11H2,(H,22,25)
InChIKeyDXPLKXFUFCKWGR-UHFFFAOYSA-N
XLogP3.09
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
The IUPAC name of N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide (CID 119044376) is N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide is O=C(NCc1cccnc1OC1CCCC1)c1cnn(CC(F)(F)F)c1.
What is the InChIKey of N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
The InChIKey is DXPLKXFUFCKWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N4O2/c18-17(19,20)11-24-10-13(9-23-24)15(25)22-8-12-4-3-7-21-16(12)26-14-5-1-2-6-14/h3-4,7,9-10,14H,1-2,5-6,8,11H2,(H,22,25).
What are the key properties of N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide has a molecular weight of 368.36 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 119044376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).