1-cyclopentyl-N-[[1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-yl]methyl]-5-methylpyrazol-4-amine

C17H24F3N5O — CID 126784742

IUPAC1-cyclopentyl-N-[[1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-yl]methyl]-5-methylpyrazol-4-amine
SMILESCc1nn(C)c(OCC(F)(F)F)c1CNc1cnn(C2CCCC2)c1C
InChIInChI=1S/C17H24F3N5O/c1-11-14(16(24(3)23-11)26-10-17(18,19)20)8-21-15-9-22-25(12(15)2)13-6-4-5-7-13/h9,13,21H,4-8,10H2,1-3H3
InChIKeyDSEFCQAFMZEDRB-UHFFFAOYSA-N
MW371.41 g/mol
LogP3.90
Rot. Bonds6

About 1-cyclopentyl-N-[[1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-yl]methyl]-5-methylpyrazol-4-amine

1-cyclopentyl-N-[[1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-yl]methyl]-5-methylpyrazol-4-amine (PubChem CID 126784742) has the molecular formula C17H24F3N5O and a molecular weight of 371.41 g/mol. Its IUPAC name is 1-cyclopentyl-N-[[1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-yl]methyl]-5-methylpyrazol-4-amine.

Molecular Properties

Compound Name1-cyclopentyl-N-[[1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-yl]methyl]-5-methylpyrazol-4-amine
PubChem CID126784742
Molecular FormulaC17H24F3N5O
Molecular Weight371.41 g/mol
Exact Mass371.19
IUPAC Name1-cyclopentyl-N-[[1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-yl]methyl]-5-methylpyrazol-4-amine
SMILESCc1nn(C)c(OCC(F)(F)F)c1CNc1cnn(C2CCCC2)c1C
InChIInChI=1S/C17H24F3N5O/c1-11-14(16(24(3)23-11)26-10-17(18,19)20)8-21-15-9-22-25(12(15)2)13-6-4-5-7-13/h9,13,21H,4-8,10H2,1-3H3
InChIKeyDSEFCQAFMZEDRB-UHFFFAOYSA-N
XLogP3.90
TPSA56.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[[1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-yl]methyl]-5-methylpyrazol-4-amine?
The IUPAC name of 1-cyclopentyl-N-[[1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-yl]methyl]-5-methylpyrazol-4-amine (CID 126784742) is 1-cyclopentyl-N-[[1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-yl]methyl]-5-methylpyrazol-4-amine.
What is the SMILES notation for 1-cyclopentyl-N-[[1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-yl]methyl]-5-methylpyrazol-4-amine?
The canonical SMILES for 1-cyclopentyl-N-[[1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-yl]methyl]-5-methylpyrazol-4-amine is Cc1nn(C)c(OCC(F)(F)F)c1CNc1cnn(C2CCCC2)c1C.
What is the InChIKey of 1-cyclopentyl-N-[[1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-yl]methyl]-5-methylpyrazol-4-amine?
The InChIKey is DSEFCQAFMZEDRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3N5O/c1-11-14(16(24(3)23-11)26-10-17(18,19)20)8-21-15-9-22-25(12(15)2)13-6-4-5-7-13/h9,13,21H,4-8,10H2,1-3H3.
What are the key properties of 1-cyclopentyl-N-[[1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-yl]methyl]-5-methylpyrazol-4-amine?
1-cyclopentyl-N-[[1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-yl]methyl]-5-methylpyrazol-4-amine has a molecular weight of 371.41 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[[1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-yl]methyl]-5-methylpyrazol-4-amine is sourced from PubChem (CID 126784742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).