N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4,4,4-trifluorobutanamide

C12H10ClF3N4O — CID 90308543

IUPACN-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4,4,4-trifluorobutanamide
SMILESO=C(CCC(F)(F)F)Nc1cn(-c2cccnc2)nc1Cl
InChIInChI=1S/C12H10ClF3N4O/c13-11-9(18-10(21)3-4-12(14,15)16)7-20(19-11)8-2-1-5-17-6-8/h1-2,5-7H,3-4H2,(H,18,21)
InChIKeyLWFQRGGNZHRUNL-UHFFFAOYSA-N
MW318.69 g/mol
LogP3.20
Rot. Bonds4

About N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4,4,4-trifluorobutanamide

N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4,4,4-trifluorobutanamide (PubChem CID 90308543) has the molecular formula C12H10ClF3N4O and a molecular weight of 318.69 g/mol. Its IUPAC name is N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4,4,4-trifluorobutanamide.

Molecular Properties

Compound NameN-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4,4,4-trifluorobutanamide
PubChem CID90308543
Molecular FormulaC12H10ClF3N4O
Molecular Weight318.69 g/mol
Exact Mass318.05
IUPAC NameN-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4,4,4-trifluorobutanamide
SMILESO=C(CCC(F)(F)F)Nc1cn(-c2cccnc2)nc1Cl
InChIInChI=1S/C12H10ClF3N4O/c13-11-9(18-10(21)3-4-12(14,15)16)7-20(19-11)8-2-1-5-17-6-8/h1-2,5-7H,3-4H2,(H,18,21)
InChIKeyLWFQRGGNZHRUNL-UHFFFAOYSA-N
XLogP3.20
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.69
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4,4,4-trifluorobutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4,4,4-trifluorobutanamide?
The IUPAC name of N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4,4,4-trifluorobutanamide (CID 90308543) is N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4,4,4-trifluorobutanamide.
What is the SMILES notation for N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4,4,4-trifluorobutanamide?
The canonical SMILES for N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4,4,4-trifluorobutanamide is O=C(CCC(F)(F)F)Nc1cn(-c2cccnc2)nc1Cl.
What is the InChIKey of N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4,4,4-trifluorobutanamide?
The InChIKey is LWFQRGGNZHRUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClF3N4O/c13-11-9(18-10(21)3-4-12(14,15)16)7-20(19-11)8-2-1-5-17-6-8/h1-2,5-7H,3-4H2,(H,18,21).
What are the key properties of N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4,4,4-trifluorobutanamide?
N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4,4,4-trifluorobutanamide has a molecular weight of 318.69 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-4,4,4-trifluorobutanamide is sourced from PubChem (CID 90308543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).