4-N-cyclopropyl-4-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4,5-diamine

C8H11F3N4 — CID 114995707

IUPAC4-N-cyclopropyl-4-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4,5-diamine
SMILESNc1[nH]ncc1N(CC(F)(F)F)C1CC1
InChIInChI=1S/C8H11F3N4/c9-8(10,11)4-15(5-1-2-5)6-3-13-14-7(6)12/h3,5H,1-2,4H2,(H3,12,13,14)
InChIKeyHOPHIKQIBXCWKE-UHFFFAOYSA-N
MW220.20 g/mol
LogP1.52
Rot. Bonds3

About 4-N-cyclopropyl-4-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4,5-diamine

4-N-cyclopropyl-4-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4,5-diamine (PubChem CID 114995707) has the molecular formula C8H11F3N4 and a molecular weight of 220.20 g/mol. Its IUPAC name is 4-N-cyclopropyl-4-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4,5-diamine.

Molecular Properties

Compound Name4-N-cyclopropyl-4-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4,5-diamine
PubChem CID114995707
Molecular FormulaC8H11F3N4
Molecular Weight220.20 g/mol
Exact Mass220.09
IUPAC Name4-N-cyclopropyl-4-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4,5-diamine
SMILESNc1[nH]ncc1N(CC(F)(F)F)C1CC1
InChIInChI=1S/C8H11F3N4/c9-8(10,11)4-15(5-1-2-5)6-3-13-14-7(6)12/h3,5H,1-2,4H2,(H3,12,13,14)
InChIKeyHOPHIKQIBXCWKE-UHFFFAOYSA-N
XLogP1.52
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.20
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-4-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4,5-diamine?
The IUPAC name of 4-N-cyclopropyl-4-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4,5-diamine (CID 114995707) is 4-N-cyclopropyl-4-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4,5-diamine.
What is the SMILES notation for 4-N-cyclopropyl-4-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4,5-diamine?
The canonical SMILES for 4-N-cyclopropyl-4-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4,5-diamine is Nc1[nH]ncc1N(CC(F)(F)F)C1CC1.
What is the InChIKey of 4-N-cyclopropyl-4-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4,5-diamine?
The InChIKey is HOPHIKQIBXCWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4/c9-8(10,11)4-15(5-1-2-5)6-3-13-14-7(6)12/h3,5H,1-2,4H2,(H3,12,13,14).
What are the key properties of 4-N-cyclopropyl-4-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4,5-diamine?
4-N-cyclopropyl-4-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4,5-diamine has a molecular weight of 220.20 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-4-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4,5-diamine is sourced from PubChem (CID 114995707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).