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

C13H16Cl2N4 — CID 66018376

IUPAC5-N-(3,5-dichlorophenyl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine
SMILESCC(C)c1nn(C)c(Nc2cc(Cl)cc(Cl)c2)c1N
InChIInChI=1S/C13H16Cl2N4/c1-7(2)12-11(16)13(19(3)18-12)17-10-5-8(14)4-9(15)6-10/h4-7,17H,16H2,1-3H3
InChIKeyIUHLBGZZFGMSNT-UHFFFAOYSA-N
MW299.21 g/mol
LogP4.18
Rot. Bonds3

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

5-N-(3,5-dichlorophenyl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine (PubChem CID 66018376) has the molecular formula C13H16Cl2N4 and a molecular weight of 299.21 g/mol. Its IUPAC name is 5-N-(3,5-dichlorophenyl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-(3,5-dichlorophenyl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine
PubChem CID66018376
Molecular FormulaC13H16Cl2N4
Molecular Weight299.21 g/mol
Exact Mass298.08
IUPAC Name5-N-(3,5-dichlorophenyl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine
SMILESCC(C)c1nn(C)c(Nc2cc(Cl)cc(Cl)c2)c1N
InChIInChI=1S/C13H16Cl2N4/c1-7(2)12-11(16)13(19(3)18-12)17-10-5-8(14)4-9(15)6-10/h4-7,17H,16H2,1-3H3
InChIKeyIUHLBGZZFGMSNT-UHFFFAOYSA-N
XLogP4.18
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-3-propan-2-yl-5-N-(4-propan-2-ylphenyl)pyrazole-4,5-diamine
CID 66018377
5-N-(5-chloro-2-methoxyphenyl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine
CID 66018572
1-methyl-5-N,3-di(propan-2-yl)pyrazole-4,5-diamine
CID 66017780
5-N-[3-(methoxymethyl)phenyl]-1-methyl-3-propan-2-ylpyrazole-4,5-diamine
CID 66017245
5-N-(4-bromo-2-fluorophenyl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine
CID 66017406
1-methyl-5-N-(2-methylpentan-3-yl)-3-propan-2-ylpyrazole-4,5-diamine
CID 66018408
2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]benzonitrile
CID 66019927
(2S)-2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-3-methylbutan-1-ol
CID 79248049
1-methyl-5-N-(1-phenylethyl)-3-propan-2-ylpyrazole-4,5-diamine
CID 66018949
1-methyl-3-propan-2-ylpyrazole-4,5-diamine
CID 66018774
5-N-[(4-fluorophenyl)methyl]-1-methyl-3-propan-2-ylpyrazole-4,5-diamine
CID 66019338
5-N-[2-(dimethylamino)ethyl]-1-methyl-3-propan-2-ylpyrazole-4,5-diamine
CID 66018172

Frequently Asked Questions

What is the IUPAC name of 5-N-(3,5-dichlorophenyl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine?
The IUPAC name of 5-N-(3,5-dichlorophenyl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine (CID 66018376) is 5-N-(3,5-dichlorophenyl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-(3,5-dichlorophenyl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-(3,5-dichlorophenyl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine is CC(C)c1nn(C)c(Nc2cc(Cl)cc(Cl)c2)c1N.
What is the InChIKey of 5-N-(3,5-dichlorophenyl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine?
The InChIKey is IUHLBGZZFGMSNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N4/c1-7(2)12-11(16)13(19(3)18-12)17-10-5-8(14)4-9(15)6-10/h4-7,17H,16H2,1-3H3.
What are the key properties of 5-N-(3,5-dichlorophenyl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine?
5-N-(3,5-dichlorophenyl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine has a molecular weight of 299.21 g/mol, XLogP of 4.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(3,5-dichlorophenyl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine is sourced from PubChem (CID 66018376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).