[2-(3-methylpyrazol-1-yl)-5-(trifluoromethyl)phenyl]carbamic acid

C12H10F3N3O2 — CID 91169911

IUPAC[2-(3-methylpyrazol-1-yl)-5-(trifluoromethyl)phenyl]carbamic acid
SMILESCc1ccn(-c2ccc(C(F)(F)F)cc2NC(=O)O)n1
InChIInChI=1S/C12H10F3N3O2/c1-7-4-5-18(17-7)10-3-2-8(12(13,14)15)6-9(10)16-11(19)20/h2-6,16H,1H3,(H,19,20)
InChIKeyRVTHKNNTKNGHAI-UHFFFAOYSA-N
MW285.23 g/mol
LogP3.29
Rot. Bonds2

About [2-(3-methylpyrazol-1-yl)-5-(trifluoromethyl)phenyl]carbamic acid

[2-(3-methylpyrazol-1-yl)-5-(trifluoromethyl)phenyl]carbamic acid (PubChem CID 91169911) has the molecular formula C12H10F3N3O2 and a molecular weight of 285.23 g/mol. Its IUPAC name is [2-(3-methylpyrazol-1-yl)-5-(trifluoromethyl)phenyl]carbamic acid.

Molecular Properties

Compound Name[2-(3-methylpyrazol-1-yl)-5-(trifluoromethyl)phenyl]carbamic acid
PubChem CID91169911
Molecular FormulaC12H10F3N3O2
Molecular Weight285.23 g/mol
Exact Mass285.07
IUPAC Name[2-(3-methylpyrazol-1-yl)-5-(trifluoromethyl)phenyl]carbamic acid
SMILESCc1ccn(-c2ccc(C(F)(F)F)cc2NC(=O)O)n1
InChIInChI=1S/C12H10F3N3O2/c1-7-4-5-18(17-7)10-3-2-8(12(13,14)15)6-9(10)16-11(19)20/h2-6,16H,1H3,(H,19,20)
InChIKeyRVTHKNNTKNGHAI-UHFFFAOYSA-N
XLogP3.29
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.23
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methylpyrazol-1-yl)-5-(trifluoromethyl)benzonitrile
CID 62487089
N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 26725448
[2-(4-methyl-1,3-thiazol-2-yl)-5-(trifluoromethyl)phenyl]carbamic acid
CID 90912923
[5-(trifluoromethyl)-2-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]phenyl]urea
CID 141484568
N-methyl-2-[[2-oxo-2-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)anilino]ethyl]amino]acetamide
CID 8772270
2-bromo-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]propanamide
CID 67168193
4-pyrazol-1-yl-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 26725796
4-methoxy-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 26725440
2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]acetamide
CID 34673257
2-[[(1S)-2-methyl-1-phenylpropyl]amino]-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]acetamide
CID 9132535
(2R)-2-(3-methylphenoxy)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]propanamide
CID 8782270
4-bromo-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide
CID 3274734

Frequently Asked Questions

What is the IUPAC name of [2-(3-methylpyrazol-1-yl)-5-(trifluoromethyl)phenyl]carbamic acid?
The IUPAC name of [2-(3-methylpyrazol-1-yl)-5-(trifluoromethyl)phenyl]carbamic acid (CID 91169911) is [2-(3-methylpyrazol-1-yl)-5-(trifluoromethyl)phenyl]carbamic acid.
What is the SMILES notation for [2-(3-methylpyrazol-1-yl)-5-(trifluoromethyl)phenyl]carbamic acid?
The canonical SMILES for [2-(3-methylpyrazol-1-yl)-5-(trifluoromethyl)phenyl]carbamic acid is Cc1ccn(-c2ccc(C(F)(F)F)cc2NC(=O)O)n1.
What is the InChIKey of [2-(3-methylpyrazol-1-yl)-5-(trifluoromethyl)phenyl]carbamic acid?
The InChIKey is RVTHKNNTKNGHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O2/c1-7-4-5-18(17-7)10-3-2-8(12(13,14)15)6-9(10)16-11(19)20/h2-6,16H,1H3,(H,19,20).
What are the key properties of [2-(3-methylpyrazol-1-yl)-5-(trifluoromethyl)phenyl]carbamic acid?
[2-(3-methylpyrazol-1-yl)-5-(trifluoromethyl)phenyl]carbamic acid has a molecular weight of 285.23 g/mol, XLogP of 3.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methylpyrazol-1-yl)-5-(trifluoromethyl)phenyl]carbamic acid is sourced from PubChem (CID 91169911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).