1-(1-methylpyrazol-4-yl)-N'-[1-(trifluoromethyl)cyclopropyl]ethane-1,2-diamine

C10H15F3N4 — CID 106219202

IUPAC1-(1-methylpyrazol-4-yl)-N'-[1-(trifluoromethyl)cyclopropyl]ethane-1,2-diamine
SMILESCn1cc(C(N)CNC2(C(F)(F)F)CC2)cn1
InChIInChI=1S/C10H15F3N4/c1-17-6-7(4-16-17)8(14)5-15-9(2-3-9)10(11,12)13/h4,6,8,15H,2-3,5,14H2,1H3
InChIKeyZYFYFFBATCKLQY-UHFFFAOYSA-N
MW248.25 g/mol
LogP1.10
Rot. Bonds4

About 1-(1-methylpyrazol-4-yl)-N'-[1-(trifluoromethyl)cyclopropyl]ethane-1,2-diamine

1-(1-methylpyrazol-4-yl)-N'-[1-(trifluoromethyl)cyclopropyl]ethane-1,2-diamine (PubChem CID 106219202) has the molecular formula C10H15F3N4 and a molecular weight of 248.25 g/mol. Its IUPAC name is 1-(1-methylpyrazol-4-yl)-N'-[1-(trifluoromethyl)cyclopropyl]ethane-1,2-diamine.

Molecular Properties

Compound Name1-(1-methylpyrazol-4-yl)-N'-[1-(trifluoromethyl)cyclopropyl]ethane-1,2-diamine
PubChem CID106219202
Molecular FormulaC10H15F3N4
Molecular Weight248.25 g/mol
Exact Mass248.12
IUPAC Name1-(1-methylpyrazol-4-yl)-N'-[1-(trifluoromethyl)cyclopropyl]ethane-1,2-diamine
SMILESCn1cc(C(N)CNC2(C(F)(F)F)CC2)cn1
InChIInChI=1S/C10H15F3N4/c1-17-6-7(4-16-17)8(14)5-15-9(2-3-9)10(11,12)13/h4,6,8,15H,2-3,5,14H2,1H3
InChIKeyZYFYFFBATCKLQY-UHFFFAOYSA-N
XLogP1.10
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103214712
1-(1-methylpyrazol-4-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103147973
(1R)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 93094324
(2S)-2-amino-2-(1-methylpyrazol-4-yl)ethanol
CID 93471722
N'-(dicyclopropylmethyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 115291218
1-(1-methylpyrazol-4-yl)-N'-(2-methylpyrazol-3-yl)ethane-1,2-diamine
CID 103542647
(3R)-3-amino-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 94420132
(3R)-3-amino-3-(1-methylpyrazol-4-yl)propanoic acid
CID 28600208
2-(3,3-dimethylpyrrolidin-1-yl)-1-(1-methylpyrazol-4-yl)ethanamine
CID 115291360
N'-methyl-1-(1-methylpyrazol-4-yl)-N'-propylethane-1,2-diamine
CID 115291130
1-(1-methylpyrazol-4-yl)-N',N'-dipropylethane-1,2-diamine
CID 115291096
4,4,4-trifluoro-3-(1-methylpyrazol-4-yl)butan-1-amine
CID 82534762

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-4-yl)-N'-[1-(trifluoromethyl)cyclopropyl]ethane-1,2-diamine?
The IUPAC name of 1-(1-methylpyrazol-4-yl)-N'-[1-(trifluoromethyl)cyclopropyl]ethane-1,2-diamine (CID 106219202) is 1-(1-methylpyrazol-4-yl)-N'-[1-(trifluoromethyl)cyclopropyl]ethane-1,2-diamine.
What is the SMILES notation for 1-(1-methylpyrazol-4-yl)-N'-[1-(trifluoromethyl)cyclopropyl]ethane-1,2-diamine?
The canonical SMILES for 1-(1-methylpyrazol-4-yl)-N'-[1-(trifluoromethyl)cyclopropyl]ethane-1,2-diamine is Cn1cc(C(N)CNC2(C(F)(F)F)CC2)cn1.
What is the InChIKey of 1-(1-methylpyrazol-4-yl)-N'-[1-(trifluoromethyl)cyclopropyl]ethane-1,2-diamine?
The InChIKey is ZYFYFFBATCKLQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4/c1-17-6-7(4-16-17)8(14)5-15-9(2-3-9)10(11,12)13/h4,6,8,15H,2-3,5,14H2,1H3.
What are the key properties of 1-(1-methylpyrazol-4-yl)-N'-[1-(trifluoromethyl)cyclopropyl]ethane-1,2-diamine?
1-(1-methylpyrazol-4-yl)-N'-[1-(trifluoromethyl)cyclopropyl]ethane-1,2-diamine has a molecular weight of 248.25 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-4-yl)-N'-[1-(trifluoromethyl)cyclopropyl]ethane-1,2-diamine is sourced from PubChem (CID 106219202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).