methyl 5-amino-1-propyl-4-(2,2,2-trifluoroethyl)pyrazole-3-carboxylate

C10H14F3N3O2 — CID 165485668

IUPACmethyl 5-amino-1-propyl-4-(2,2,2-trifluoroethyl)pyrazole-3-carboxylate
SMILESCCCn1nc(C(=O)OC)c(CC(F)(F)F)c1N
InChIInChI=1S/C10H14F3N3O2/c1-3-4-16-8(14)6(5-10(11,12)13)7(15-16)9(17)18-2/h3-5,14H2,1-2H3
InChIKeySBSHGKCVGQOOOI-UHFFFAOYSA-N
MW265.23 g/mol
LogP1.77
Rot. Bonds4

About methyl 5-amino-1-propyl-4-(2,2,2-trifluoroethyl)pyrazole-3-carboxylate

methyl 5-amino-1-propyl-4-(2,2,2-trifluoroethyl)pyrazole-3-carboxylate (PubChem CID 165485668) has the molecular formula C10H14F3N3O2 and a molecular weight of 265.23 g/mol. Its IUPAC name is methyl 5-amino-1-propyl-4-(2,2,2-trifluoroethyl)pyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-1-propyl-4-(2,2,2-trifluoroethyl)pyrazole-3-carboxylate
PubChem CID165485668
Molecular FormulaC10H14F3N3O2
Molecular Weight265.23 g/mol
Exact Mass265.10
IUPAC Namemethyl 5-amino-1-propyl-4-(2,2,2-trifluoroethyl)pyrazole-3-carboxylate
SMILESCCCn1nc(C(=O)OC)c(CC(F)(F)F)c1N
InChIInChI=1S/C10H14F3N3O2/c1-3-4-16-8(14)6(5-10(11,12)13)7(15-16)9(17)18-2/h3-5,14H2,1-2H3
InChIKeySBSHGKCVGQOOOI-UHFFFAOYSA-N
XLogP1.77
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-amino-1,4-dipropylpyrazole-3-carboxylate
CID 165475313
ethyl 5-amino-4-methyl-1-propylpyrazole-3-carboxylate
CID 165463383
methyl 5-amino-4-tert-butyl-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxylate
CID 165475390
methyl 5-amino-3-(dimethylamino)-1-propylpyrazole-4-carboxylate
CID 102808706
methyl 5-amino-4-ethyl-1-propan-2-ylpyrazole-3-carboxylate
CID 105465044
tert-butyl 4-(5-amino-3-methoxycarbonyl-1-propylpyrazol-4-yl)piperidine-1-carboxylate
CID 165486035
dimethyl 3,4-bis(2,2,2-trifluoroethyl)-1H-pyrrole-2,5-dicarboxylate
CID 3573953
methyl 5-amino-3-piperazin-1-yl-1-propylpyrazole-4-carboxylate
CID 102808721
5-amino-1,4-diethylpyrazole-3-carboxylic acid
CID 21432458
methyl 4-amino-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxylate;hydrochloride
CID 146155798
methyl 5-amino-2-ethyl-1-(2,2,2-trifluoroethyl)imidazole-4-carboxylate
CID 103544613
methyl 5-acetyl-4-amino-1-(methoxymethyl)pyrazole-3-carboxylate
CID 164537514

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-1-propyl-4-(2,2,2-trifluoroethyl)pyrazole-3-carboxylate?
The IUPAC name of methyl 5-amino-1-propyl-4-(2,2,2-trifluoroethyl)pyrazole-3-carboxylate (CID 165485668) is methyl 5-amino-1-propyl-4-(2,2,2-trifluoroethyl)pyrazole-3-carboxylate.
What is the SMILES notation for methyl 5-amino-1-propyl-4-(2,2,2-trifluoroethyl)pyrazole-3-carboxylate?
The canonical SMILES for methyl 5-amino-1-propyl-4-(2,2,2-trifluoroethyl)pyrazole-3-carboxylate is CCCn1nc(C(=O)OC)c(CC(F)(F)F)c1N.
What is the InChIKey of methyl 5-amino-1-propyl-4-(2,2,2-trifluoroethyl)pyrazole-3-carboxylate?
The InChIKey is SBSHGKCVGQOOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O2/c1-3-4-16-8(14)6(5-10(11,12)13)7(15-16)9(17)18-2/h3-5,14H2,1-2H3.
What are the key properties of methyl 5-amino-1-propyl-4-(2,2,2-trifluoroethyl)pyrazole-3-carboxylate?
methyl 5-amino-1-propyl-4-(2,2,2-trifluoroethyl)pyrazole-3-carboxylate has a molecular weight of 265.23 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-1-propyl-4-(2,2,2-trifluoroethyl)pyrazole-3-carboxylate is sourced from PubChem (CID 165485668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).