3,4,5-trifluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide

C12H10F3N3O — CID 63186397

IUPAC3,4,5-trifluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
SMILESCc1[nH]ncc1CNC(=O)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C12H10F3N3O/c1-6-8(5-17-18-6)4-16-12(19)7-2-9(13)11(15)10(14)3-7/h2-3,5H,4H2,1H3,(H,16,19)(H,17,18)
InChIKeyUYGGKUFYLMMRQZ-UHFFFAOYSA-N
MW269.23 g/mol
LogP2.07
Rot. Bonds3

About 3,4,5-trifluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide

3,4,5-trifluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide (PubChem CID 63186397) has the molecular formula C12H10F3N3O and a molecular weight of 269.23 g/mol. Its IUPAC name is 3,4,5-trifluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name3,4,5-trifluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
PubChem CID63186397
Molecular FormulaC12H10F3N3O
Molecular Weight269.23 g/mol
Exact Mass269.08
IUPAC Name3,4,5-trifluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
SMILESCc1[nH]ncc1CNC(=O)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C12H10F3N3O/c1-6-8(5-17-18-6)4-16-12(19)7-2-9(13)11(15)10(14)3-7/h2-3,5H,4H2,1H3,(H,16,19)(H,17,18)
InChIKeyUYGGKUFYLMMRQZ-UHFFFAOYSA-N
XLogP2.07
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.23
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3,5-difluoro-4-(methylamino)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 63185983
3,4-difluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 60736056
3-bromo-5-fluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 54896384
3-chloro-4-fluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 81421879
3-amino-2,5-difluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 107120776
2,3,4,5,6-pentamethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 61003845
3,4,5-trifluoro-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114699471
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998598
3-(dimethylamino)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 54896754
2-(aminomethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridine-4-carboxamide
CID 113277766
2,5-difluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-nitrobenzamide
CID 104699302
2,5-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 60736020

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trifluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide?
The IUPAC name of 3,4,5-trifluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide (CID 63186397) is 3,4,5-trifluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide.
What is the SMILES notation for 3,4,5-trifluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide?
The canonical SMILES for 3,4,5-trifluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide is Cc1[nH]ncc1CNC(=O)c1cc(F)c(F)c(F)c1.
What is the InChIKey of 3,4,5-trifluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide?
The InChIKey is UYGGKUFYLMMRQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O/c1-6-8(5-17-18-6)4-16-12(19)7-2-9(13)11(15)10(14)3-7/h2-3,5H,4H2,1H3,(H,16,19)(H,17,18).
What are the key properties of 3,4,5-trifluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide?
3,4,5-trifluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide has a molecular weight of 269.23 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trifluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide is sourced from PubChem (CID 63186397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).