N'-methyl-3-(1-methylpyrazol-4-yl)-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-1-carboximidamide

C16H25F3N6 — CID 111742691

IUPACN'-methyl-3-(1-methylpyrazol-4-yl)-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-1-carboximidamide
SMILESC/N=C(/NC1CCN(CC(F)(F)F)C1)N1CCC(c2cnn(C)c2)C1
InChIInChI=1S/C16H25F3N6/c1-20-15(22-14-4-5-24(10-14)11-16(17,18)19)25-6-3-12(9-25)13-7-21-23(2)8-13/h7-8,12,14H,3-6,9-11H2,1-2H3,(H,20,22)
InChIKeyXXCPOQGREJBLJC-UHFFFAOYSA-N
MW358.41 g/mol
LogP1.42
Rot. Bonds3

About N'-methyl-3-(1-methylpyrazol-4-yl)-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-1-carboximidamide

N'-methyl-3-(1-methylpyrazol-4-yl)-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-1-carboximidamide (PubChem CID 111742691) has the molecular formula C16H25F3N6 and a molecular weight of 358.41 g/mol. Its IUPAC name is N'-methyl-3-(1-methylpyrazol-4-yl)-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN'-methyl-3-(1-methylpyrazol-4-yl)-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-1-carboximidamide
PubChem CID111742691
Molecular FormulaC16H25F3N6
Molecular Weight358.41 g/mol
Exact Mass358.21
IUPAC NameN'-methyl-3-(1-methylpyrazol-4-yl)-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-1-carboximidamide
SMILESC/N=C(/NC1CCN(CC(F)(F)F)C1)N1CCC(c2cnn(C)c2)C1
InChIInChI=1S/C16H25F3N6/c1-20-15(22-14-4-5-24(10-14)11-16(17,18)19)25-6-3-12(9-25)13-7-21-23(2)8-13/h7-8,12,14H,3-6,9-11H2,1-2H3,(H,20,22)
InChIKeyXXCPOQGREJBLJC-UHFFFAOYSA-N
XLogP1.42
TPSA48.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N'-methyl-3-(1-methylpyrazol-4-yl)-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-1-carboximidamide 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 N'-methyl-3-(1-methylpyrazol-4-yl)-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-1-carboximidamide?
The IUPAC name of N'-methyl-3-(1-methylpyrazol-4-yl)-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-1-carboximidamide (CID 111742691) is N'-methyl-3-(1-methylpyrazol-4-yl)-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-1-carboximidamide.
What is the SMILES notation for N'-methyl-3-(1-methylpyrazol-4-yl)-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-1-carboximidamide?
The canonical SMILES for N'-methyl-3-(1-methylpyrazol-4-yl)-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-1-carboximidamide is C/N=C(/NC1CCN(CC(F)(F)F)C1)N1CCC(c2cnn(C)c2)C1.
What is the InChIKey of N'-methyl-3-(1-methylpyrazol-4-yl)-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-1-carboximidamide?
The InChIKey is XXCPOQGREJBLJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F3N6/c1-20-15(22-14-4-5-24(10-14)11-16(17,18)19)25-6-3-12(9-25)13-7-21-23(2)8-13/h7-8,12,14H,3-6,9-11H2,1-2H3,(H,20,22).
What are the key properties of N'-methyl-3-(1-methylpyrazol-4-yl)-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-1-carboximidamide?
N'-methyl-3-(1-methylpyrazol-4-yl)-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-1-carboximidamide has a molecular weight of 358.41 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-3-(1-methylpyrazol-4-yl)-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-1-carboximidamide is sourced from PubChem (CID 111742691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).