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

C10H12F3N3O2 — CID 67496788

IUPAC[1-(cyclopropylmethyl)-3-(trifluoromethyl)pyrazol-5-yl]-methylcarbamic acid
SMILESCN(C(=O)O)c1cc(C(F)(F)F)nn1CC1CC1
InChIInChI=1S/C10H12F3N3O2/c1-15(9(17)18)8-4-7(10(11,12)13)14-16(8)5-6-2-3-6/h4,6H,2-3,5H2,1H3,(H,17,18)
InChIKeyRVSRZBJXWKHMBW-UHFFFAOYSA-N
MW263.22 g/mol
LogP2.43
Rot. Bonds3

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

[1-(cyclopropylmethyl)-3-(trifluoromethyl)pyrazol-5-yl]-methylcarbamic acid (PubChem CID 67496788) 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 CID67496788
Molecular FormulaC10H12F3N3O2
Molecular Weight263.22 g/mol
Exact Mass263.09
IUPAC Name[1-(cyclopropylmethyl)-3-(trifluoromethyl)pyrazol-5-yl]-methylcarbamic acid
SMILESCN(C(=O)O)c1cc(C(F)(F)F)nn1CC1CC1
InChIInChI=1S/C10H12F3N3O2/c1-15(9(17)18)8-4-7(10(11,12)13)14-16(8)5-6-2-3-6/h4,6H,2-3,5H2,1H3,(H,17,18)
InChIKeyRVSRZBJXWKHMBW-UHFFFAOYSA-N
XLogP2.43
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl-[1-pentyl-3-(trifluoromethyl)pyrazol-5-yl]carbamic acid
CID 68299542
Methyl-[1-(oxan-4-yl)-3-(trifluoromethyl)pyrazol-5-yl]carbamic acid
CID 68299552
[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
4-Hydroxy-1,5-dimethyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazol-2-one
CID 123142877
tert-butyl N-[1-(cyclopropylmethyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-methylcarbamate
CID 123182744
N-[1-butyl-3-(trifluoromethyl)pyrazol-5-yl]-N-methylformamide
CID 155480505
1-Butyl-3-(2,5-dimethylpyrazol-3-yl)-1-(2,2,2-trifluoroethyl)urea
CID 72045104
Tert-butyl-(3-cyano-1-propylpyrazol-5-yl)carbamic acid
CID 66959040
methyl N-methyl-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)carbamate
CID 67678454
N-(2-butyl-5-methylpyrazol-3-yl)-N-methylformamide
CID 132182732
(1,5-Dimethylpyrazol-3-yl)-methylcarbamic acid
CID 141341116

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 67496788) 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 CN(C(=O)O)c1cc(C(F)(F)F)nn1CC1CC1.
What is the InChIKey of [1-(cyclopropylmethyl)-3-(trifluoromethyl)pyrazol-5-yl]-methylcarbamic acid?
The InChIKey is RVSRZBJXWKHMBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O2/c1-15(9(17)18)8-4-7(10(11,12)13)14-16(8)5-6-2-3-6/h4,6H,2-3,5H2,1H3,(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 2.43, 3 rotatable bonds, 1 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 67496788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).