5-N,5-N-dimethyl-1-(4-methylphenyl)pyrazole-3,5-diamine

C12H16N4 — CID 83864590

IUPAC5-N,5-N-dimethyl-1-(4-methylphenyl)pyrazole-3,5-diamine
SMILESCc1ccc(-n2nc(N)cc2N(C)C)cc1
InChIInChI=1S/C12H16N4/c1-9-4-6-10(7-5-9)16-12(15(2)3)8-11(13)14-16/h4-8H,1-3H3,(H2,13,14)
InChIKeyYWDPEOUQNSXDPL-UHFFFAOYSA-N
MW216.29 g/mol
LogP1.83
Rot. Bonds2

About 5-N,5-N-dimethyl-1-(4-methylphenyl)pyrazole-3,5-diamine

5-N,5-N-dimethyl-1-(4-methylphenyl)pyrazole-3,5-diamine (PubChem CID 83864590) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 5-N,5-N-dimethyl-1-(4-methylphenyl)pyrazole-3,5-diamine.

Molecular Properties

Compound Name5-N,5-N-dimethyl-1-(4-methylphenyl)pyrazole-3,5-diamine
PubChem CID83864590
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name5-N,5-N-dimethyl-1-(4-methylphenyl)pyrazole-3,5-diamine
SMILESCc1ccc(-n2nc(N)cc2N(C)C)cc1
InChIInChI=1S/C12H16N4/c1-9-4-6-10(7-5-9)16-12(15(2)3)8-11(13)14-16/h4-8H,1-3H3,(H2,13,14)
InChIKeyYWDPEOUQNSXDPL-UHFFFAOYSA-N
XLogP1.83
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-N,5-N-dimethyl-1-phenylpyrazole-3,5-diamine
CID 83864489
4-[3-amino-5-(4-methylphenyl)pyrazol-1-yl]benzonitrile
CID 118152156
5-methyl-1-(4-phenylphenyl)pyrazol-3-amine
CID 102942821
1-(4-methylphenyl)-1,2,4-triazole-3,5-diamine
CID 21455595
1-(2-chloro-5-fluoropyrimidin-4-yl)-5-N,5-N-dimethylpyrazole-3,5-diamine
CID 87513922
5-(3-fluoro-4-isocyanophenyl)-1-(4-methylphenyl)pyrazol-3-amine
CID 176613772
4-(3-amino-5-methylpyrazol-1-yl)benzonitrile
CID 46705137
1-(4-methylphenyl)-5-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-amine
CID 134840383
1-(2,4-dimethylphenyl)-5-methylpyrazol-3-amine
CID 62679820
3-iodo-5-methyl-1-(4-methylphenyl)pyrazole
CID 145470553
3-methyl-1,5-bis(4-methylphenyl)pyrazole
CID 59881727
1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-5-amine
CID 1478026

Frequently Asked Questions

What is the IUPAC name of 5-N,5-N-dimethyl-1-(4-methylphenyl)pyrazole-3,5-diamine?
The IUPAC name of 5-N,5-N-dimethyl-1-(4-methylphenyl)pyrazole-3,5-diamine (CID 83864590) is 5-N,5-N-dimethyl-1-(4-methylphenyl)pyrazole-3,5-diamine.
What is the SMILES notation for 5-N,5-N-dimethyl-1-(4-methylphenyl)pyrazole-3,5-diamine?
The canonical SMILES for 5-N,5-N-dimethyl-1-(4-methylphenyl)pyrazole-3,5-diamine is Cc1ccc(-n2nc(N)cc2N(C)C)cc1.
What is the InChIKey of 5-N,5-N-dimethyl-1-(4-methylphenyl)pyrazole-3,5-diamine?
The InChIKey is YWDPEOUQNSXDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-9-4-6-10(7-5-9)16-12(15(2)3)8-11(13)14-16/h4-8H,1-3H3,(H2,13,14).
What are the key properties of 5-N,5-N-dimethyl-1-(4-methylphenyl)pyrazole-3,5-diamine?
5-N,5-N-dimethyl-1-(4-methylphenyl)pyrazole-3,5-diamine has a molecular weight of 216.29 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,5-N-dimethyl-1-(4-methylphenyl)pyrazole-3,5-diamine is sourced from PubChem (CID 83864590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).