4-[[5-[4-(aminomethyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]methyl]-N-hydroxybenzamide

C19H17F3N4O2 — CID 174870339

IUPAC4-[[5-[4-(aminomethyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]methyl]-N-hydroxybenzamide
SMILESNCc1ccc(-c2cc(C(F)(F)F)nn2Cc2ccc(C(=O)NO)cc2)cc1
InChIInChI=1S/C19H17F3N4O2/c20-19(21,22)17-9-16(14-5-1-12(10-23)2-6-14)26(24-17)11-13-3-7-15(8-4-13)18(27)25-28/h1-9,28H,10-11,23H2,(H,25,27)
InChIKeyPEFFNFYPDPEYOV-UHFFFAOYSA-N
MW390.37 g/mol
LogP3.19
Rot. Bonds5

About 4-[[5-[4-(aminomethyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]methyl]-N-hydroxybenzamide

4-[[5-[4-(aminomethyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]methyl]-N-hydroxybenzamide (PubChem CID 174870339) has the molecular formula C19H17F3N4O2 and a molecular weight of 390.37 g/mol. Its IUPAC name is 4-[[5-[4-(aminomethyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]methyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[[5-[4-(aminomethyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]methyl]-N-hydroxybenzamide
PubChem CID174870339
Molecular FormulaC19H17F3N4O2
Molecular Weight390.37 g/mol
Exact Mass390.13
IUPAC Name4-[[5-[4-(aminomethyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]methyl]-N-hydroxybenzamide
SMILESNCc1ccc(-c2cc(C(F)(F)F)nn2Cc2ccc(C(=O)NO)cc2)cc1
InChIInChI=1S/C19H17F3N4O2/c20-19(21,22)17-9-16(14-5-1-12(10-23)2-6-14)26(24-17)11-13-3-7-15(8-4-13)18(27)25-28/h1-9,28H,10-11,23H2,(H,25,27)
InChIKeyPEFFNFYPDPEYOV-UHFFFAOYSA-N
XLogP3.19
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.37
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[2-[3-[4-(aminomethyl)phenyl]-5-(trifluoromethyl)pyrazol-1-yl]ethyl]-N-hydroxybenzamide
CID 174869650
3-[1-benzyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dichlorobenzamide
CID 143534160
4-[[3-(2-amino-1,3-benzothiazol-6-yl)-5-[2-(trifluoromethyl)phenyl]pyrazol-1-yl]methyl]-N-hydroxybenzamide
CID 164522437
[4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanamine
CID 21090692
4-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]benzoate
CID 5087530
4-[[3-(2-amino-1,3-benzothiazol-6-yl)-5-(4-methylphenyl)pyrazol-1-yl]methyl]-N-hydroxybenzamide
CID 164522483
2-[[4-[[3,5-bis[4-(trifluoromethoxy)phenyl]pyrazol-1-yl]methyl]benzoyl]amino]acetic acid
CID 10076914
1-[4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-N-methylmethanamine
CID 177142047
4-[[5-(4-aminophenyl)tetrazol-2-yl]methyl]-N-hydroxybenzamide
CID 135357638
N-hydroxy-4-[[4-(4-hydroxyphenyl)-2-phenylpyrrol-1-yl]methyl]benzamide
CID 141296678
[4-[5-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanamine;hydrochloride
CID 21090957
4-[[3-(3,5-difluorophenyl)-1,2,4-triazol-1-yl]methyl]-N-hydroxybenzamide
CID 171344502

Frequently Asked Questions

What is the IUPAC name of 4-[[5-[4-(aminomethyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]methyl]-N-hydroxybenzamide?
The IUPAC name of 4-[[5-[4-(aminomethyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]methyl]-N-hydroxybenzamide (CID 174870339) is 4-[[5-[4-(aminomethyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]methyl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[[5-[4-(aminomethyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]methyl]-N-hydroxybenzamide?
The canonical SMILES for 4-[[5-[4-(aminomethyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]methyl]-N-hydroxybenzamide is NCc1ccc(-c2cc(C(F)(F)F)nn2Cc2ccc(C(=O)NO)cc2)cc1.
What is the InChIKey of 4-[[5-[4-(aminomethyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]methyl]-N-hydroxybenzamide?
The InChIKey is PEFFNFYPDPEYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O2/c20-19(21,22)17-9-16(14-5-1-12(10-23)2-6-14)26(24-17)11-13-3-7-15(8-4-13)18(27)25-28/h1-9,28H,10-11,23H2,(H,25,27).
What are the key properties of 4-[[5-[4-(aminomethyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]methyl]-N-hydroxybenzamide?
4-[[5-[4-(aminomethyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]methyl]-N-hydroxybenzamide has a molecular weight of 390.37 g/mol, XLogP of 3.19, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[4-(aminomethyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]methyl]-N-hydroxybenzamide is sourced from PubChem (CID 174870339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).