5-N-(2,4-difluorophenyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine

C13H16F2N4 — CID 66026959

IUPAC5-N-(2,4-difluorophenyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
SMILESCc1nn(C(C)C)c(Nc2ccc(F)cc2F)c1N
InChIInChI=1S/C13H16F2N4/c1-7(2)19-13(12(16)8(3)18-19)17-11-5-4-9(14)6-10(11)15/h4-7,17H,16H2,1-3H3
InChIKeyPIFNUBMNYUMZTB-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.38
Rot. Bonds3

About 5-N-(2,4-difluorophenyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine

5-N-(2,4-difluorophenyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine (PubChem CID 66026959) has the molecular formula C13H16F2N4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 5-N-(2,4-difluorophenyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-(2,4-difluorophenyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
PubChem CID66026959
Molecular FormulaC13H16F2N4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name5-N-(2,4-difluorophenyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
SMILESCc1nn(C(C)C)c(Nc2ccc(F)cc2F)c1N
InChIInChI=1S/C13H16F2N4/c1-7(2)19-13(12(16)8(3)18-19)17-11-5-4-9(14)6-10(11)15/h4-7,17H,16H2,1-3H3
InChIKeyPIFNUBMNYUMZTB-UHFFFAOYSA-N
XLogP3.38
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-N-(3,5-dichloro-4-fluorophenyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
CID 107571588
5-N-[2-(dimethylamino)phenyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
CID 106759506
5-N-(2-ethylphenyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
CID 66027346
2-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]-4-bromobenzonitrile
CID 107797167
3-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]benzonitrile
CID 66029081
5-N-(3-bromo-5-methoxyphenyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
CID 82857326
5-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
CID 66028114
5-N-(1-ethylpyrazol-3-yl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
CID 114251469
5-N-tert-butyl-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
CID 66028498
1-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]ethanol
CID 70039786
2-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]-5-fluorobenzonitrile
CID 82014680
4-N-(2,4-difluorophenyl)-6-propan-2-yloxypyrimidine-4,5-diamine
CID 19152519

Frequently Asked Questions

What is the IUPAC name of 5-N-(2,4-difluorophenyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine?
The IUPAC name of 5-N-(2,4-difluorophenyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine (CID 66026959) is 5-N-(2,4-difluorophenyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-(2,4-difluorophenyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-(2,4-difluorophenyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine is Cc1nn(C(C)C)c(Nc2ccc(F)cc2F)c1N.
What is the InChIKey of 5-N-(2,4-difluorophenyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine?
The InChIKey is PIFNUBMNYUMZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N4/c1-7(2)19-13(12(16)8(3)18-19)17-11-5-4-9(14)6-10(11)15/h4-7,17H,16H2,1-3H3.
What are the key properties of 5-N-(2,4-difluorophenyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine?
5-N-(2,4-difluorophenyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine has a molecular weight of 266.30 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2,4-difluorophenyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine is sourced from PubChem (CID 66026959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).