3-amino-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrazole-5-carboxamide

C12H11F3N4O2 — CID 64523070

IUPAC3-amino-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrazole-5-carboxamide
SMILESNc1cc(C(=O)NCc2ccccc2OC(F)(F)F)[nH]n1
InChIInChI=1S/C12H11F3N4O2/c13-12(14,15)21-9-4-2-1-3-7(9)6-17-11(20)8-5-10(16)19-18-8/h1-5H,6H2,(H,17,20)(H3,16,18,19)
InChIKeyKIESYZNZFKTBOI-UHFFFAOYSA-N
MW300.24 g/mol
LogP1.82
Rot. Bonds4

About 3-amino-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrazole-5-carboxamide

3-amino-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrazole-5-carboxamide (PubChem CID 64523070) has the molecular formula C12H11F3N4O2 and a molecular weight of 300.24 g/mol. Its IUPAC name is 3-amino-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrazole-5-carboxamide
PubChem CID64523070
Molecular FormulaC12H11F3N4O2
Molecular Weight300.24 g/mol
Exact Mass300.08
IUPAC Name3-amino-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrazole-5-carboxamide
SMILESNc1cc(C(=O)NCc2ccccc2OC(F)(F)F)[nH]n1
InChIInChI=1S/C12H11F3N4O2/c13-12(14,15)21-9-4-2-1-3-7(9)6-17-11(20)8-5-10(16)19-18-8/h1-5H,6H2,(H,17,20)(H3,16,18,19)
InChIKeyKIESYZNZFKTBOI-UHFFFAOYSA-N
XLogP1.82
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-phenyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrazole-5-carboxamide
CID 25357745
3-amino-N-[(2-fluorophenyl)methyl]-1H-pyrazole-5-carboxamide
CID 64524798
4-sulfanyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 162582853
3-amino-N-[(2-bromo-5-fluorophenyl)methyl]-1H-pyrazole-5-carboxamide
CID 64524304
2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 70733601
N-[[2-(trifluoromethoxy)phenyl]methyl]hydroxylamine
CID 82684299
2-bromo-2-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
CID 114327416
1-[2-(trifluoromethoxy)phenyl]-3-[[2-(trifluoromethoxy)phenyl]methyl]urea
CID 3817679
1-methyl-6-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-4,5-dihydropyridazine-3-carboxamide
CID 24586575
2-amino-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclopropane-1-carboxamide
CID 55035674
2-amino-2-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]butanamide
CID 79804940
methyl 5-[[2-(trifluoromethoxy)phenyl]methylcarbamoyl]thiophene-2-carboxylate
CID 38750833

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-amino-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrazole-5-carboxamide (CID 64523070) is 3-amino-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-amino-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrazole-5-carboxamide is Nc1cc(C(=O)NCc2ccccc2OC(F)(F)F)[nH]n1.
What is the InChIKey of 3-amino-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrazole-5-carboxamide?
The InChIKey is KIESYZNZFKTBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4O2/c13-12(14,15)21-9-4-2-1-3-7(9)6-17-11(20)8-5-10(16)19-18-8/h1-5H,6H2,(H,17,20)(H3,16,18,19).
What are the key properties of 3-amino-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrazole-5-carboxamide?
3-amino-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrazole-5-carboxamide has a molecular weight of 300.24 g/mol, XLogP of 1.82, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 64523070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).