N-(2,2-difluoroethyl)-1-(3-ethyl-1-methylpyrazol-4-yl)ethane-1,2-diamine

C10H18F2N4 — CID 112669590

IUPACN-(2,2-difluoroethyl)-1-(3-ethyl-1-methylpyrazol-4-yl)ethane-1,2-diamine
SMILESCCc1nn(C)cc1C(CN)NCC(F)F
InChIInChI=1S/C10H18F2N4/c1-3-8-7(6-16(2)15-8)9(4-13)14-5-10(11)12/h6,9-10,14H,3-5,13H2,1-2H3
InChIKeyZGZPBPYJERURAM-UHFFFAOYSA-N
MW232.28 g/mol
LogP0.84
Rot. Bonds6

About N-(2,2-difluoroethyl)-1-(3-ethyl-1-methylpyrazol-4-yl)ethane-1,2-diamine

N-(2,2-difluoroethyl)-1-(3-ethyl-1-methylpyrazol-4-yl)ethane-1,2-diamine (PubChem CID 112669590) has the molecular formula C10H18F2N4 and a molecular weight of 232.28 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-1-(3-ethyl-1-methylpyrazol-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-1-(3-ethyl-1-methylpyrazol-4-yl)ethane-1,2-diamine
PubChem CID112669590
Molecular FormulaC10H18F2N4
Molecular Weight232.28 g/mol
Exact Mass232.15
IUPAC NameN-(2,2-difluoroethyl)-1-(3-ethyl-1-methylpyrazol-4-yl)ethane-1,2-diamine
SMILESCCc1nn(C)cc1C(CN)NCC(F)F
InChIInChI=1S/C10H18F2N4/c1-3-8-7(6-16(2)15-8)9(4-13)14-5-10(11)12/h6,9-10,14H,3-5,13H2,1-2H3
InChIKeyZGZPBPYJERURAM-UHFFFAOYSA-N
XLogP0.84
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,2-difluoroethyl)-1-(1,3-dimethylpyrazol-4-yl)ethane-1,2-diamine
CID 83089687
1-(3-ethyl-1-methylpyrazol-4-yl)-N-(2-methylprop-2-enyl)ethane-1,2-diamine
CID 114616015
3-[[2-amino-1-(3-ethyl-1-methylpyrazol-4-yl)ethyl]amino]propan-1-ol
CID 112669542
1-(3-ethyl-1-methylpyrazol-4-yl)-N-phenylethane-1,2-diamine
CID 112669491
1-(3-ethyl-1-methylpyrazol-4-yl)-N-piperidin-1-ylethane-1,2-diamine
CID 112669602
2-amino-1-(3-ethyl-1-methylpyrazol-4-yl)ethanol
CID 130166119
4-(difluoromethyl)-3-ethyl-1-methylpyrazole;ethane
CID 165139530
1-(3-ethyl-1-methylpyrazol-4-yl)-N,N-dimethylethane-1,2-diamine
CID 112669221
N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)-2,2-difluoroethanamine
CID 112671176
1-(1,3-dimethylpyrazol-4-yl)-N-(2-methoxypropyl)ethane-1,2-diamine
CID 102697079
1-(3-ethyl-1-methylpyrazol-4-yl)-N-hex-1-yn-3-ylethane-1,2-diamine
CID 114161042
N-(2-chlorophenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 112669529

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-1-(3-ethyl-1-methylpyrazol-4-yl)ethane-1,2-diamine?
The IUPAC name of N-(2,2-difluoroethyl)-1-(3-ethyl-1-methylpyrazol-4-yl)ethane-1,2-diamine (CID 112669590) is N-(2,2-difluoroethyl)-1-(3-ethyl-1-methylpyrazol-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N-(2,2-difluoroethyl)-1-(3-ethyl-1-methylpyrazol-4-yl)ethane-1,2-diamine?
The canonical SMILES for N-(2,2-difluoroethyl)-1-(3-ethyl-1-methylpyrazol-4-yl)ethane-1,2-diamine is CCc1nn(C)cc1C(CN)NCC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-1-(3-ethyl-1-methylpyrazol-4-yl)ethane-1,2-diamine?
The InChIKey is ZGZPBPYJERURAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N4/c1-3-8-7(6-16(2)15-8)9(4-13)14-5-10(11)12/h6,9-10,14H,3-5,13H2,1-2H3.
What are the key properties of N-(2,2-difluoroethyl)-1-(3-ethyl-1-methylpyrazol-4-yl)ethane-1,2-diamine?
N-(2,2-difluoroethyl)-1-(3-ethyl-1-methylpyrazol-4-yl)ethane-1,2-diamine has a molecular weight of 232.28 g/mol, XLogP of 0.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-1-(3-ethyl-1-methylpyrazol-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 112669590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).