2,2,2-trifluoroethyl N-(2-propylpyrazol-3-yl)carbamate

C9H12F3N3O2 — CID 52908163

IUPAC2,2,2-trifluoroethyl N-(2-propylpyrazol-3-yl)carbamate
SMILESCCCn1nccc1NC(=O)OCC(F)(F)F
InChIInChI=1S/C9H12F3N3O2/c1-2-5-15-7(3-4-13-15)14-8(16)17-6-9(10,11)12/h3-4H,2,5-6H2,1H3,(H,14,16)
InChIKeyJVLSWFJMKZVSQG-UHFFFAOYSA-N
MW251.21 g/mol
LogP2.40
Rot. Bonds4

About 2,2,2-trifluoroethyl N-(2-propylpyrazol-3-yl)carbamate

2,2,2-trifluoroethyl N-(2-propylpyrazol-3-yl)carbamate (PubChem CID 52908163) has the molecular formula C9H12F3N3O2 and a molecular weight of 251.21 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-(2-propylpyrazol-3-yl)carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-(2-propylpyrazol-3-yl)carbamate
PubChem CID52908163
Molecular FormulaC9H12F3N3O2
Molecular Weight251.21 g/mol
Exact Mass251.09
IUPAC Name2,2,2-trifluoroethyl N-(2-propylpyrazol-3-yl)carbamate
SMILESCCCn1nccc1NC(=O)OCC(F)(F)F
InChIInChI=1S/C9H12F3N3O2/c1-2-5-15-7(3-4-13-15)14-8(16)17-6-9(10,11)12/h3-4H,2,5-6H2,1H3,(H,14,16)
InChIKeyJVLSWFJMKZVSQG-UHFFFAOYSA-N
XLogP2.40
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.21
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(3-Methoxypropyl)pyrazol-3-yl]-3-propylurea
CID 72008027
1-Tert-butyl-3-[1-(3-methoxypropyl)pyrazol-3-yl]urea
CID 72101341
1-[(2-Methylpropan-2-yl)oxy]-3-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]urea
CID 99800249
N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-methoxy-2,2-dimethylpropanamide
CID 132970581
2,2,2-Trifluoro-N-(1-methyl-3-pyrazolyl)acetamide
CID 19405082
N-(1-Ethyl-1H-pyrazol-5-yl)-2,2,2-trifluoroacetamide
CID 57698727
2-Ethylpyrazol-3-amine;2,2,2-trifluoroacetic acid
CID 68726135
1-fluorobutyl N-[(1-fluorobutoxycarbonylamino)-pyrazol-1-ylmethylidene]carbamate
CID 70181386
2,2,2-trifluoro-N-(1-methyl-1H-pyrazol-5-yl)acetamide
CID 75480930
[1-(2-fluoroethyl)-1H-pyrazol-5-yl]formamide
CID 85666041
N-(2-ethylpyrazol-3-yl)-2-fluoroacetamide
CID 89187445
[1-(5,5-Difluorohexyl)pyrazol-3-yl]carbamic acid
CID 91197320

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-(2-propylpyrazol-3-yl)carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-(2-propylpyrazol-3-yl)carbamate (CID 52908163) is 2,2,2-trifluoroethyl N-(2-propylpyrazol-3-yl)carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-(2-propylpyrazol-3-yl)carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-(2-propylpyrazol-3-yl)carbamate is CCCn1nccc1NC(=O)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl N-(2-propylpyrazol-3-yl)carbamate?
The InChIKey is JVLSWFJMKZVSQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O2/c1-2-5-15-7(3-4-13-15)14-8(16)17-6-9(10,11)12/h3-4H,2,5-6H2,1H3,(H,14,16).
What are the key properties of 2,2,2-trifluoroethyl N-(2-propylpyrazol-3-yl)carbamate?
2,2,2-trifluoroethyl N-(2-propylpyrazol-3-yl)carbamate has a molecular weight of 251.21 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N-(2-propylpyrazol-3-yl)carbamate is sourced from PubChem (CID 52908163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).