4-(2,6-difluorophenyl)-5-methyl-1H-pyrazol-3-amine;ethane;ethanol

C14H21F2N3O — CID 142528007

IUPAC4-(2,6-difluorophenyl)-5-methyl-1H-pyrazol-3-amine;ethane;ethanol
SMILESCC.CCO.Cc1[nH]nc(N)c1-c1c(F)cccc1F
InChIInChI=1S/C10H9F2N3.C2H6O.C2H6/c1-5-8(10(13)15-14-5)9-6(11)3-2-4-7(9)12;1-2-3;1-2/h2-4H,1H3,(H3,13,14,15);3H,2H2,1H3;1-2H3
InChIKeyMRFOCMMBVFFACV-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.27
Rot. Bonds1

About 4-(2,6-difluorophenyl)-5-methyl-1H-pyrazol-3-amine;ethane;ethanol

4-(2,6-difluorophenyl)-5-methyl-1H-pyrazol-3-amine;ethane;ethanol (PubChem CID 142528007) has the molecular formula C14H21F2N3O and a molecular weight of 285.34 g/mol. Its IUPAC name is 4-(2,6-difluorophenyl)-5-methyl-1H-pyrazol-3-amine;ethane;ethanol.

Molecular Properties

Compound Name4-(2,6-difluorophenyl)-5-methyl-1H-pyrazol-3-amine;ethane;ethanol
PubChem CID142528007
Molecular FormulaC14H21F2N3O
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name4-(2,6-difluorophenyl)-5-methyl-1H-pyrazol-3-amine;ethane;ethanol
SMILESCC.CCO.Cc1[nH]nc(N)c1-c1c(F)cccc1F
InChIInChI=1S/C10H9F2N3.C2H6O.C2H6/c1-5-8(10(13)15-14-5)9-6(11)3-2-4-7(9)12;1-2-3;1-2/h2-4H,1H3,(H3,13,14,15);3H,2H2,1H3;1-2H3
InChIKeyMRFOCMMBVFFACV-UHFFFAOYSA-N
XLogP3.27
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2,6-difluorophenyl)diazenyl]-5-methyl-1H-pyrazol-3-amine
CID 170279040
4-(2-chloro-6-fluorophenyl)-5-(2,2-dimethylpropyl)-1H-pyrazol-3-amine
CID 43334977
5-(2,6-difluorophenyl)-4-pyridin-2-yl-1H-pyrazol-3-amine
CID 80521139
5-(2,3-difluorophenyl)-4-(2-methylphenyl)-1H-pyrazol-3-amine
CID 62648782
5-(2,6-difluorophenyl)-3-methyl-2H-pyrazolo[4,3-c]isoquinoline
CID 11185520
5-(2-fluoro-6-methoxyphenyl)-4-pyridin-4-yl-1H-pyrazol-3-amine
CID 80523543
4-(cyclopropen-1-yl)-5-methyl-1H-pyrazol-3-amine
CID 176900304
2-(2,6-difluorophenyl)-1,3-difluorobenzene
CID 13068684
4-(2-fluorophenyl)-5-heptyl-1H-pyrazol-3-amine
CID 63525723
4-(2,6-dimethyl-3-pyridinyl)-5-methyl-1H-pyrazol-3-amine
CID 59078635
5-ethyl-3-(2-fluoro-6-methoxyphenyl)-1H-1,2,4-triazole
CID 65432102
[3-(2-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]methanol
CID 54850882

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-difluorophenyl)-5-methyl-1H-pyrazol-3-amine;ethane;ethanol?
The IUPAC name of 4-(2,6-difluorophenyl)-5-methyl-1H-pyrazol-3-amine;ethane;ethanol (CID 142528007) is 4-(2,6-difluorophenyl)-5-methyl-1H-pyrazol-3-amine;ethane;ethanol.
What is the SMILES notation for 4-(2,6-difluorophenyl)-5-methyl-1H-pyrazol-3-amine;ethane;ethanol?
The canonical SMILES for 4-(2,6-difluorophenyl)-5-methyl-1H-pyrazol-3-amine;ethane;ethanol is CC.CCO.Cc1[nH]nc(N)c1-c1c(F)cccc1F.
What is the InChIKey of 4-(2,6-difluorophenyl)-5-methyl-1H-pyrazol-3-amine;ethane;ethanol?
The InChIKey is MRFOCMMBVFFACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2N3.C2H6O.C2H6/c1-5-8(10(13)15-14-5)9-6(11)3-2-4-7(9)12;1-2-3;1-2/h2-4H,1H3,(H3,13,14,15);3H,2H2,1H3;1-2H3.
What are the key properties of 4-(2,6-difluorophenyl)-5-methyl-1H-pyrazol-3-amine;ethane;ethanol?
4-(2,6-difluorophenyl)-5-methyl-1H-pyrazol-3-amine;ethane;ethanol has a molecular weight of 285.34 g/mol, XLogP of 3.27, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-difluorophenyl)-5-methyl-1H-pyrazol-3-amine;ethane;ethanol is sourced from PubChem (CID 142528007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).