5-N-cyclopropyl-1-methyl-3-propyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine

C12H19F3N4 — CID 66017518

IUPAC5-N-cyclopropyl-1-methyl-3-propyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine
SMILESCCCc1nn(C)c(N(CC(F)(F)F)C2CC2)c1N
InChIInChI=1S/C12H19F3N4/c1-3-4-9-10(16)11(18(2)17-9)19(8-5-6-8)7-12(13,14)15/h8H,3-7,16H2,1-2H3
InChIKeyOUKOVTXDMJNRCG-UHFFFAOYSA-N
MW276.31 g/mol
LogP2.49
Rot. Bonds5

About 5-N-cyclopropyl-1-methyl-3-propyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine

5-N-cyclopropyl-1-methyl-3-propyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine (PubChem CID 66017518) has the molecular formula C12H19F3N4 and a molecular weight of 276.31 g/mol. Its IUPAC name is 5-N-cyclopropyl-1-methyl-3-propyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-cyclopropyl-1-methyl-3-propyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine
PubChem CID66017518
Molecular FormulaC12H19F3N4
Molecular Weight276.31 g/mol
Exact Mass276.16
IUPAC Name5-N-cyclopropyl-1-methyl-3-propyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine
SMILESCCCc1nn(C)c(N(CC(F)(F)F)C2CC2)c1N
InChIInChI=1S/C12H19F3N4/c1-3-4-9-10(16)11(18(2)17-9)19(8-5-6-8)7-12(13,14)15/h8H,3-7,16H2,1-2H3
InChIKeyOUKOVTXDMJNRCG-UHFFFAOYSA-N
XLogP2.49
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-N-cyclopropyl-1-methyl-3-propyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine?
The IUPAC name of 5-N-cyclopropyl-1-methyl-3-propyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine (CID 66017518) is 5-N-cyclopropyl-1-methyl-3-propyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine.
What is the SMILES notation for 5-N-cyclopropyl-1-methyl-3-propyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine?
The canonical SMILES for 5-N-cyclopropyl-1-methyl-3-propyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine is CCCc1nn(C)c(N(CC(F)(F)F)C2CC2)c1N.
What is the InChIKey of 5-N-cyclopropyl-1-methyl-3-propyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine?
The InChIKey is OUKOVTXDMJNRCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N4/c1-3-4-9-10(16)11(18(2)17-9)19(8-5-6-8)7-12(13,14)15/h8H,3-7,16H2,1-2H3.
What are the key properties of 5-N-cyclopropyl-1-methyl-3-propyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine?
5-N-cyclopropyl-1-methyl-3-propyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine has a molecular weight of 276.31 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-cyclopropyl-1-methyl-3-propyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine is sourced from PubChem (CID 66017518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).