[1-(cyclopropylmethyl)-3-(trifluoromethyl)pyrazol-5-yl]methylcarbamic acid

C10H12F3N3O2 — CID 67496786

IUPAC[1-(cyclopropylmethyl)-3-(trifluoromethyl)pyrazol-5-yl]methylcarbamic acid
SMILESO=C(O)NCc1cc(C(F)(F)F)nn1CC1CC1
InChIInChI=1S/C10H12F3N3O2/c11-10(12,13)8-3-7(4-14-9(17)18)16(15-8)5-6-1-2-6/h3,6,14H,1-2,4-5H2,(H,17,18)
InChIKeyCCGZOHUPZDSWEU-UHFFFAOYSA-N
MW263.22 g/mol
LogP2.08
Rot. Bonds4

About [1-(cyclopropylmethyl)-3-(trifluoromethyl)pyrazol-5-yl]methylcarbamic acid

[1-(cyclopropylmethyl)-3-(trifluoromethyl)pyrazol-5-yl]methylcarbamic acid (PubChem CID 67496786) has the molecular formula C10H12F3N3O2 and a molecular weight of 263.22 g/mol. Its IUPAC name is [1-(cyclopropylmethyl)-3-(trifluoromethyl)pyrazol-5-yl]methylcarbamic acid.

Molecular Properties

Compound Name[1-(cyclopropylmethyl)-3-(trifluoromethyl)pyrazol-5-yl]methylcarbamic acid
PubChem CID67496786
Molecular FormulaC10H12F3N3O2
Molecular Weight263.22 g/mol
Exact Mass263.09
IUPAC Name[1-(cyclopropylmethyl)-3-(trifluoromethyl)pyrazol-5-yl]methylcarbamic acid
SMILESO=C(O)NCc1cc(C(F)(F)F)nn1CC1CC1
InChIInChI=1S/C10H12F3N3O2/c11-10(12,13)8-3-7(4-14-9(17)18)16(15-8)5-6-1-2-6/h3,6,14H,1-2,4-5H2,(H,17,18)
InChIKeyCCGZOHUPZDSWEU-UHFFFAOYSA-N
XLogP2.08
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(cyclopropylmethyl)-3-(trifluoromethyl)pyrazol-5-yl]methylcarbamic acid?
The IUPAC name of [1-(cyclopropylmethyl)-3-(trifluoromethyl)pyrazol-5-yl]methylcarbamic acid (CID 67496786) is [1-(cyclopropylmethyl)-3-(trifluoromethyl)pyrazol-5-yl]methylcarbamic acid.
What is the SMILES notation for [1-(cyclopropylmethyl)-3-(trifluoromethyl)pyrazol-5-yl]methylcarbamic acid?
The canonical SMILES for [1-(cyclopropylmethyl)-3-(trifluoromethyl)pyrazol-5-yl]methylcarbamic acid is O=C(O)NCc1cc(C(F)(F)F)nn1CC1CC1.
What is the InChIKey of [1-(cyclopropylmethyl)-3-(trifluoromethyl)pyrazol-5-yl]methylcarbamic acid?
The InChIKey is CCGZOHUPZDSWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O2/c11-10(12,13)8-3-7(4-14-9(17)18)16(15-8)5-6-1-2-6/h3,6,14H,1-2,4-5H2,(H,17,18).
What are the key properties of [1-(cyclopropylmethyl)-3-(trifluoromethyl)pyrazol-5-yl]methylcarbamic acid?
[1-(cyclopropylmethyl)-3-(trifluoromethyl)pyrazol-5-yl]methylcarbamic acid has a molecular weight of 263.22 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopropylmethyl)-3-(trifluoromethyl)pyrazol-5-yl]methylcarbamic acid is sourced from PubChem (CID 67496786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).