[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamic acid

C5H4F3N3O2 — CID 66876319

IUPAC[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamic acid
SMILESO=C(O)Nc1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C5H4F3N3O2/c6-5(7,8)2-1-3(11-10-2)9-4(12)13/h1H,(H,12,13)(H2,9,10,11)
InChIKeyGEBSZULPIKFBTA-UHFFFAOYSA-N
MW195.10 g/mol
LogP1.52
Rot. Bonds1

About [5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamic acid

[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamic acid (PubChem CID 66876319) has the molecular formula C5H4F3N3O2 and a molecular weight of 195.10 g/mol. Its IUPAC name is [5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamic acid.

Molecular Properties

Compound Name[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamic acid
PubChem CID66876319
Molecular FormulaC5H4F3N3O2
Molecular Weight195.10 g/mol
Exact Mass195.03
IUPAC Name[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamic acid
SMILESO=C(O)Nc1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C5H4F3N3O2/c6-5(7,8)2-1-3(11-10-2)9-4(12)13/h1H,(H,12,13)(H2,9,10,11)
InChIKeyGEBSZULPIKFBTA-UHFFFAOYSA-N
XLogP1.52
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.10
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-Trifluoroacetylamino-5-methylpyrazole
CID 15312520
N-methyl-3-(trifluoromethyl)-1H-pyrazol-5-amine
CID 54351446
N-[3-(trifluoromethyl)-1H-pyrazol-5-yl]acetamide
CID 86717284
methyl-[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamic acid
CID 67496988
[1-Amino-3-(trifluoromethyl)pyrazol-5-yl]-methylcarbamic acid
CID 68786438
[5-(trifluoromethyl)-1H-pyrazol-3-yl]urea
CID 68818176
[5-Methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]carbamic acid
CID 71150272
[1-Methyl-3-(trifluoromethyl)pyrazol-5-yl]carbamic acid
CID 91480610
[1-Methyl-5-(trifluoromethyl)pyrazol-3-yl]carbamic acid
CID 117697827
[3-(Difluoromethyl)-1-methylpyrazol-5-yl]carbamic acid
CID 117775416
N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]formamide
CID 124184394
5-Amino-3-(trifluoromethyl)pyrazole-1-carboxylic acid
CID 137375404

Frequently Asked Questions

What is the IUPAC name of [5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamic acid?
The IUPAC name of [5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamic acid (CID 66876319) is [5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamic acid.
What is the SMILES notation for [5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamic acid?
The canonical SMILES for [5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamic acid is O=C(O)Nc1cc(C(F)(F)F)[nH]n1.
What is the InChIKey of [5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamic acid?
The InChIKey is GEBSZULPIKFBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F3N3O2/c6-5(7,8)2-1-3(11-10-2)9-4(12)13/h1H,(H,12,13)(H2,9,10,11).
What are the key properties of [5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamic acid?
[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamic acid has a molecular weight of 195.10 g/mol, XLogP of 1.52, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamic acid is sourced from PubChem (CID 66876319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).