[2-methyl-1-[(1-methylpyrazole-4-carbonyl)amino]propan-2-yl] 3,3,3-trifluoropropanoate

C12H16F3N3O3 — CID 175264361

IUPAC[2-methyl-1-[(1-methylpyrazole-4-carbonyl)amino]propan-2-yl] 3,3,3-trifluoropropanoate
SMILESCn1cc(C(=O)NCC(C)(C)OC(=O)CC(F)(F)F)cn1
InChIInChI=1S/C12H16F3N3O3/c1-11(2,21-9(19)4-12(13,14)15)7-16-10(20)8-5-17-18(3)6-8/h5-6H,4,7H2,1-3H3,(H,16,20)
InChIKeyWCIWEFBAPJYANC-UHFFFAOYSA-N
MW307.27 g/mol
LogP1.42
Rot. Bonds5

About [2-methyl-1-[(1-methylpyrazole-4-carbonyl)amino]propan-2-yl] 3,3,3-trifluoropropanoate

[2-methyl-1-[(1-methylpyrazole-4-carbonyl)amino]propan-2-yl] 3,3,3-trifluoropropanoate (PubChem CID 175264361) has the molecular formula C12H16F3N3O3 and a molecular weight of 307.27 g/mol. Its IUPAC name is [2-methyl-1-[(1-methylpyrazole-4-carbonyl)amino]propan-2-yl] 3,3,3-trifluoropropanoate.

Molecular Properties

Compound Name[2-methyl-1-[(1-methylpyrazole-4-carbonyl)amino]propan-2-yl] 3,3,3-trifluoropropanoate
PubChem CID175264361
Molecular FormulaC12H16F3N3O3
Molecular Weight307.27 g/mol
Exact Mass307.11
IUPAC Name[2-methyl-1-[(1-methylpyrazole-4-carbonyl)amino]propan-2-yl] 3,3,3-trifluoropropanoate
SMILESCn1cc(C(=O)NCC(C)(C)OC(=O)CC(F)(F)F)cn1
InChIInChI=1S/C12H16F3N3O3/c1-11(2,21-9(19)4-12(13,14)15)7-16-10(20)8-5-17-18(3)6-8/h5-6H,4,7H2,1-3H3,(H,16,20)
InChIKeyWCIWEFBAPJYANC-UHFFFAOYSA-N
XLogP1.42
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.27
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-methyl-1-[(1-methylpyrazole-4-carbonyl)amino]propan-2-yl] 3,3,3-trifluoropropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Diethyl 2-[(1-methylpyrazole-4-carbonyl)amino]propanedioate
CID 33247932
N-(1-methoxypropan-2-yl)-1-methylpyrazole-4-carboxamide
CID 53532136
Ethyl 2-[(1-methylpyrazole-4-carbonyl)-propylamino]acetate
CID 54898713
Ethyl 2-[ethyl-(1-methylpyrazole-4-carbonyl)amino]acetate
CID 54901462
N-(2-ethoxybutyl)-1-isopropyl-1H-pyrazole-4-carboxamide
CID 77080245
N-[2-(2-methoxyethylamino)ethyl]-1-methylpyrazole-4-carboxamide
CID 82993556
N-[(1-methoxycyclohexyl)methyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
CID 119044752
N-(difluoromethyl)-1-prop-2-enylpyrazole-4-carboxamide
CID 57217965
N-[2-(2-fluoroethoxy)ethyl]-N,1-dimethylpyrazole-4-carboxamide
CID 58446876
N-(difluoromethyl)-1-methylpyrazole-4-carboxamide
CID 66660851
1-[3,3,3-Trifluoro-2-[(2-fluoroethylamino)methyl]-2-hydroxypropyl]pyrazole-4-carboxamide
CID 149884460
1-[[2-(Trifluoromethyl)oxiran-2-yl]methyl]pyrazole-4-carboxamide
CID 150722075

Frequently Asked Questions

What is the IUPAC name of [2-methyl-1-[(1-methylpyrazole-4-carbonyl)amino]propan-2-yl] 3,3,3-trifluoropropanoate?
The IUPAC name of [2-methyl-1-[(1-methylpyrazole-4-carbonyl)amino]propan-2-yl] 3,3,3-trifluoropropanoate (CID 175264361) is [2-methyl-1-[(1-methylpyrazole-4-carbonyl)amino]propan-2-yl] 3,3,3-trifluoropropanoate.
What is the SMILES notation for [2-methyl-1-[(1-methylpyrazole-4-carbonyl)amino]propan-2-yl] 3,3,3-trifluoropropanoate?
The canonical SMILES for [2-methyl-1-[(1-methylpyrazole-4-carbonyl)amino]propan-2-yl] 3,3,3-trifluoropropanoate is Cn1cc(C(=O)NCC(C)(C)OC(=O)CC(F)(F)F)cn1.
What is the InChIKey of [2-methyl-1-[(1-methylpyrazole-4-carbonyl)amino]propan-2-yl] 3,3,3-trifluoropropanoate?
The InChIKey is WCIWEFBAPJYANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O3/c1-11(2,21-9(19)4-12(13,14)15)7-16-10(20)8-5-17-18(3)6-8/h5-6H,4,7H2,1-3H3,(H,16,20).
What are the key properties of [2-methyl-1-[(1-methylpyrazole-4-carbonyl)amino]propan-2-yl] 3,3,3-trifluoropropanoate?
[2-methyl-1-[(1-methylpyrazole-4-carbonyl)amino]propan-2-yl] 3,3,3-trifluoropropanoate has a molecular weight of 307.27 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-1-[(1-methylpyrazole-4-carbonyl)amino]propan-2-yl] 3,3,3-trifluoropropanoate is sourced from PubChem (CID 175264361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).