N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3-(trifluoromethyl)benzamide

C18H15F3N4O — CID 90555037

IUPACN-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3-(trifluoromethyl)benzamide
SMILESCn1nc(CNC(=O)c2cccc(C(F)(F)F)c2)cc1-c1ccncc1
InChIInChI=1S/C18H15F3N4O/c1-25-16(12-5-7-22-8-6-12)10-15(24-25)11-23-17(26)13-3-2-4-14(9-13)18(19,20)21/h2-10H,11H2,1H3,(H,23,26)
InChIKeySQXCJKZOGRNWNQ-UHFFFAOYSA-N
MW360.34 g/mol
LogP3.43
Rot. Bonds4

About N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3-(trifluoromethyl)benzamide

N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3-(trifluoromethyl)benzamide (PubChem CID 90555037) has the molecular formula C18H15F3N4O and a molecular weight of 360.34 g/mol. Its IUPAC name is N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3-(trifluoromethyl)benzamide
PubChem CID90555037
Molecular FormulaC18H15F3N4O
Molecular Weight360.34 g/mol
Exact Mass360.12
IUPAC NameN-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3-(trifluoromethyl)benzamide
SMILESCn1nc(CNC(=O)c2cccc(C(F)(F)F)c2)cc1-c1ccncc1
InChIInChI=1S/C18H15F3N4O/c1-25-16(12-5-7-22-8-6-12)10-15(24-25)11-23-17(26)13-3-2-4-14(9-13)18(19,20)21/h2-10H,11H2,1H3,(H,23,26)
InChIKeySQXCJKZOGRNWNQ-UHFFFAOYSA-N
XLogP3.43
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.34
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3-(trifluoromethyl)benzamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]pyridine-3-carboxamide
CID 90554952
1-methyl-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-oxopyridine-3-carboxamide
CID 71797491
N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]butanamide
CID 90554937
N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-(4-phenylphenyl)acetamide
CID 90555066
3-methyl-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]butanamide
CID 90554943
2-methoxy-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]acetamide
CID 90554940
N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-3-(trifluoromethyl)benzamide
CID 3240597
1-N-(pyridin-4-ylmethyl)-3-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
CID 109055233
2-ethoxy-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]acetamide
CID 90554945
3-(trifluoromethyl)-N-[[3-[[[3-(trifluoromethyl)benzoyl]amino]methyl]phenyl]methyl]benzamide
CID 4076220
5-cyclopropyl-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-1,2-oxazole-3-carboxamide
CID 71797530
2-pyridin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-5-carboxamide
CID 74246545

Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3-(trifluoromethyl)benzamide (CID 90555037) is N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3-(trifluoromethyl)benzamide is Cn1nc(CNC(=O)c2cccc(C(F)(F)F)c2)cc1-c1ccncc1.
What is the InChIKey of N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3-(trifluoromethyl)benzamide?
The InChIKey is SQXCJKZOGRNWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O/c1-25-16(12-5-7-22-8-6-12)10-15(24-25)11-23-17(26)13-3-2-4-14(9-13)18(19,20)21/h2-10H,11H2,1H3,(H,23,26).
What are the key properties of N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3-(trifluoromethyl)benzamide?
N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3-(trifluoromethyl)benzamide has a molecular weight of 360.34 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 90555037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).