cis-(1S,3R)-2,2-dimethyl-3-[methyl-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]carbamoyl]cyclopropane-1-carboxylic acid

C14H18F3N3O3 — CID 122066640

IUPACcis-(1S,3R)-2,2-dimethyl-3-[methyl-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]carbamoyl]cyclopropane-1-carboxylic acid
SMILESCN(Cc1cn(C)nc1C(F)(F)F)C(=O)[C@@H]1[C@H](C(=O)O)C1(C)C
InChIInChI=1S/C14H18F3N3O3/c1-13(2)8(9(13)12(22)23)11(21)19(3)5-7-6-20(4)18-10(7)14(15,16)17/h6,8-9H,5H2,1-4H3,(H,22,23)/t8-,9+/m0/s1
InChIKeyGVEMEWLAWLYTBY-DTWKUNHWSA-N
MW333.31 g/mol
LogP1.75
Rot. Bonds4

About cis-(1S,3R)-2,2-dimethyl-3-[methyl-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]carbamoyl]cyclopropane-1-carboxylic acid

cis-(1S,3R)-2,2-dimethyl-3-[methyl-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 122066640) has the molecular formula C14H18F3N3O3 and a molecular weight of 333.31 g/mol. Its IUPAC name is cis-(1S,3R)-2,2-dimethyl-3-[methyl-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,3R)-2,2-dimethyl-3-[methyl-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID122066640
Molecular FormulaC14H18F3N3O3
Molecular Weight333.31 g/mol
Exact Mass333.13
IUPAC Namecis-(1S,3R)-2,2-dimethyl-3-[methyl-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]carbamoyl]cyclopropane-1-carboxylic acid
SMILESCN(Cc1cn(C)nc1C(F)(F)F)C(=O)[C@@H]1[C@H](C(=O)O)C1(C)C
InChIInChI=1S/C14H18F3N3O3/c1-13(2)8(9(13)12(22)23)11(21)19(3)5-7-6-20(4)18-10(7)14(15,16)17/h6,8-9H,5H2,1-4H3,(H,22,23)/t8-,9+/m0/s1
InChIKeyGVEMEWLAWLYTBY-DTWKUNHWSA-N
XLogP1.75
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.31
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze cis-(1S,3R)-2,2-dimethyl-3-[methyl-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]carbamoyl]cyclopropane-1-carboxylic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-2,2-dimethyl-3-[methyl-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of cis-(1S,3R)-2,2-dimethyl-3-[methyl-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]carbamoyl]cyclopropane-1-carboxylic acid (CID 122066640) is cis-(1S,3R)-2,2-dimethyl-3-[methyl-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,3R)-2,2-dimethyl-3-[methyl-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for cis-(1S,3R)-2,2-dimethyl-3-[methyl-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]carbamoyl]cyclopropane-1-carboxylic acid is CN(Cc1cn(C)nc1C(F)(F)F)C(=O)[C@@H]1[C@H](C(=O)O)C1(C)C.
What is the InChIKey of cis-(1S,3R)-2,2-dimethyl-3-[methyl-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is GVEMEWLAWLYTBY-DTWKUNHWSA-N. The full InChI is InChI=1S/C14H18F3N3O3/c1-13(2)8(9(13)12(22)23)11(21)19(3)5-7-6-20(4)18-10(7)14(15,16)17/h6,8-9H,5H2,1-4H3,(H,22,23)/t8-,9+/m0/s1.
What are the key properties of cis-(1S,3R)-2,2-dimethyl-3-[methyl-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]carbamoyl]cyclopropane-1-carboxylic acid?
cis-(1S,3R)-2,2-dimethyl-3-[methyl-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 333.31 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-2,2-dimethyl-3-[methyl-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 122066640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).