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

C9H13F3N4 — CID 103078302

IUPAC3-N-cyclopropyl-1-methyl-3-N-(2,2,2-trifluoroethyl)pyrazole-3,4-diamine
SMILESCn1cc(N)c(N(CC(F)(F)F)C2CC2)n1
InChIInChI=1S/C9H13F3N4/c1-15-4-7(13)8(14-15)16(6-2-3-6)5-9(10,11)12/h4,6H,2-3,5,13H2,1H3
InChIKeyPANAWOTWSGKZQE-UHFFFAOYSA-N
MW234.22 g/mol
LogP1.53
Rot. Bonds3

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

3-N-cyclopropyl-1-methyl-3-N-(2,2,2-trifluoroethyl)pyrazole-3,4-diamine (PubChem CID 103078302) has the molecular formula C9H13F3N4 and a molecular weight of 234.22 g/mol. Its IUPAC name is 3-N-cyclopropyl-1-methyl-3-N-(2,2,2-trifluoroethyl)pyrazole-3,4-diamine.

Molecular Properties

Compound Name3-N-cyclopropyl-1-methyl-3-N-(2,2,2-trifluoroethyl)pyrazole-3,4-diamine
PubChem CID103078302
Molecular FormulaC9H13F3N4
Molecular Weight234.22 g/mol
Exact Mass234.11
IUPAC Name3-N-cyclopropyl-1-methyl-3-N-(2,2,2-trifluoroethyl)pyrazole-3,4-diamine
SMILESCn1cc(N)c(N(CC(F)(F)F)C2CC2)n1
InChIInChI=1S/C9H13F3N4/c1-15-4-7(13)8(14-15)16(6-2-3-6)5-9(10,11)12/h4,6H,2-3,5,13H2,1H3
InChIKeyPANAWOTWSGKZQE-UHFFFAOYSA-N
XLogP1.53
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-Ethyl-1H-pyrazole-3,4-diamine
CID 66509601
1-methyl-1H-pyrazole-3,4-diamine
CID 15166013
1-(2-Fluoroethyl)-1H-pyrazole-4,5-diamine
CID 21904539
4-Isocyano-1-(2,2,2-trifluoroethyl)pyrazol-5-amine
CID 57556360
1-(2,2,2-trifluoroethyl)-1H-pyrazole-3,4-diamine
CID 66509522
(+/-)-1-methyl-5-(3-(trifluoromethyl)piperazin-1-yl)-1H-pyrazol-4-amine
CID 86680081
(4R)-1-(4-amino-1-methylpyrazol-5-yl)-6,6-difluoroazepan-4-amine
CID 89456595
1-[4-Amino-1-(2,2,2-trifluoroethyl)pyrazol-5-yl]azepan-3-amine
CID 89456671
1-(4-Amino-1-cyclopropylpyrazol-5-yl)-6,6-difluoroazepan-4-amine
CID 89456702
1-Methyl-5-[3-(trifluoromethyl)piperidin-1-yl]pyrazol-4-amine
CID 89456703
1-(4-Amino-2-methylpyrazol-3-yl)-6,6-difluoroazepan-4-amine
CID 89456783
1-cyclopropyl-5-[(4R)-4-fluoroazepan-1-yl]pyrazol-4-amine
CID 89484140

Frequently Asked Questions

What is the IUPAC name of 3-N-cyclopropyl-1-methyl-3-N-(2,2,2-trifluoroethyl)pyrazole-3,4-diamine?
The IUPAC name of 3-N-cyclopropyl-1-methyl-3-N-(2,2,2-trifluoroethyl)pyrazole-3,4-diamine (CID 103078302) is 3-N-cyclopropyl-1-methyl-3-N-(2,2,2-trifluoroethyl)pyrazole-3,4-diamine.
What is the SMILES notation for 3-N-cyclopropyl-1-methyl-3-N-(2,2,2-trifluoroethyl)pyrazole-3,4-diamine?
The canonical SMILES for 3-N-cyclopropyl-1-methyl-3-N-(2,2,2-trifluoroethyl)pyrazole-3,4-diamine is Cn1cc(N)c(N(CC(F)(F)F)C2CC2)n1.
What is the InChIKey of 3-N-cyclopropyl-1-methyl-3-N-(2,2,2-trifluoroethyl)pyrazole-3,4-diamine?
The InChIKey is PANAWOTWSGKZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4/c1-15-4-7(13)8(14-15)16(6-2-3-6)5-9(10,11)12/h4,6H,2-3,5,13H2,1H3.
What are the key properties of 3-N-cyclopropyl-1-methyl-3-N-(2,2,2-trifluoroethyl)pyrazole-3,4-diamine?
3-N-cyclopropyl-1-methyl-3-N-(2,2,2-trifluoroethyl)pyrazole-3,4-diamine has a molecular weight of 234.22 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-cyclopropyl-1-methyl-3-N-(2,2,2-trifluoroethyl)pyrazole-3,4-diamine is sourced from PubChem (CID 103078302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).