2,2,2-trifluoroethyl N-[3-[(5-methyl-1H-pyrazol-3-yl)amino]-3-oxopropyl]carbamate

C10H13F3N4O3 — CID 47466303

IUPAC2,2,2-trifluoroethyl N-[3-[(5-methyl-1H-pyrazol-3-yl)amino]-3-oxopropyl]carbamate
SMILESCc1cc(NC(=O)CCNC(=O)OCC(F)(F)F)n[nH]1
InChIInChI=1S/C10H13F3N4O3/c1-6-4-7(17-16-6)15-8(18)2-3-14-9(19)20-5-10(11,12)13/h4H,2-3,5H2,1H3,(H,14,19)(H2,15,16,17,18)
InChIKeyBIVSLTKAPVACGT-UHFFFAOYSA-N
MW294.23 g/mol
LogP1.34
Rot. Bonds5

About 2,2,2-trifluoroethyl N-[3-[(5-methyl-1H-pyrazol-3-yl)amino]-3-oxopropyl]carbamate

2,2,2-trifluoroethyl N-[3-[(5-methyl-1H-pyrazol-3-yl)amino]-3-oxopropyl]carbamate (PubChem CID 47466303) has the molecular formula C10H13F3N4O3 and a molecular weight of 294.23 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-[3-[(5-methyl-1H-pyrazol-3-yl)amino]-3-oxopropyl]carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-[3-[(5-methyl-1H-pyrazol-3-yl)amino]-3-oxopropyl]carbamate
PubChem CID47466303
Molecular FormulaC10H13F3N4O3
Molecular Weight294.23 g/mol
Exact Mass294.09
IUPAC Name2,2,2-trifluoroethyl N-[3-[(5-methyl-1H-pyrazol-3-yl)amino]-3-oxopropyl]carbamate
SMILESCc1cc(NC(=O)CCNC(=O)OCC(F)(F)F)n[nH]1
InChIInChI=1S/C10H13F3N4O3/c1-6-4-7(17-16-6)15-8(18)2-3-14-9(19)20-5-10(11,12)13/h4H,2-3,5H2,1H3,(H,14,19)(H2,15,16,17,18)
InChIKeyBIVSLTKAPVACGT-UHFFFAOYSA-N
XLogP1.34
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.23
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-[3-[(5-methyl-1H-pyrazol-3-yl)amino]-3-oxopropyl]carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-[3-[(5-methyl-1H-pyrazol-3-yl)amino]-3-oxopropyl]carbamate (CID 47466303) is 2,2,2-trifluoroethyl N-[3-[(5-methyl-1H-pyrazol-3-yl)amino]-3-oxopropyl]carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-[3-[(5-methyl-1H-pyrazol-3-yl)amino]-3-oxopropyl]carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-[3-[(5-methyl-1H-pyrazol-3-yl)amino]-3-oxopropyl]carbamate is Cc1cc(NC(=O)CCNC(=O)OCC(F)(F)F)n[nH]1.
What is the InChIKey of 2,2,2-trifluoroethyl N-[3-[(5-methyl-1H-pyrazol-3-yl)amino]-3-oxopropyl]carbamate?
The InChIKey is BIVSLTKAPVACGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4O3/c1-6-4-7(17-16-6)15-8(18)2-3-14-9(19)20-5-10(11,12)13/h4H,2-3,5H2,1H3,(H,14,19)(H2,15,16,17,18).
What are the key properties of 2,2,2-trifluoroethyl N-[3-[(5-methyl-1H-pyrazol-3-yl)amino]-3-oxopropyl]carbamate?
2,2,2-trifluoroethyl N-[3-[(5-methyl-1H-pyrazol-3-yl)amino]-3-oxopropyl]carbamate has a molecular weight of 294.23 g/mol, XLogP of 1.34, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N-[3-[(5-methyl-1H-pyrazol-3-yl)amino]-3-oxopropyl]carbamate is sourced from PubChem (CID 47466303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).