1-(3-chlorophenyl)-3-methylpyrazole-4,5-diamine

C10H11ClN4 — CID 10513268

IUPAC1-(3-chlorophenyl)-3-methylpyrazole-4,5-diamine
SMILESCc1nn(-c2cccc(Cl)c2)c(N)c1N
InChIInChI=1S/C10H11ClN4/c1-6-9(12)10(13)15(14-6)8-4-2-3-7(11)5-8/h2-5H,12-13H2,1H3
InChIKeyXFLISUJUFRHMTQ-UHFFFAOYSA-N
MW222.68 g/mol
LogP2.00
Rot. Bonds1

About 1-(3-chlorophenyl)-3-methylpyrazole-4,5-diamine

1-(3-chlorophenyl)-3-methylpyrazole-4,5-diamine (PubChem CID 10513268) has the molecular formula C10H11ClN4 and a molecular weight of 222.68 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-methylpyrazole-4,5-diamine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-methylpyrazole-4,5-diamine
PubChem CID10513268
Molecular FormulaC10H11ClN4
Molecular Weight222.68 g/mol
Exact Mass222.07
IUPAC Name1-(3-chlorophenyl)-3-methylpyrazole-4,5-diamine
SMILESCc1nn(-c2cccc(Cl)c2)c(N)c1N
InChIInChI=1S/C10H11ClN4/c1-6-9(12)10(13)15(14-6)8-4-2-3-7(11)5-8/h2-5H,12-13H2,1H3
InChIKeyXFLISUJUFRHMTQ-UHFFFAOYSA-N
XLogP2.00
TPSA69.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.68
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-1-(3-chlorophenyl)-3,4-dimethylpyrazole
CID 66021982
5-[4-(3-chlorophenyl)piperazin-1-yl]-1,3-dimethylpyrazol-4-amine
CID 43553966
1-(3-chlorophenyl)-4-cyano-3-methylpyrazole-5-sulfonamide
CID 116647231
3,5-diamino-1-(3-chlorophenyl)pyrazole-4-carboxylic acid
CID 115056445
7-(4,5-diamino-3-methylpyrazol-1-yl)naphthalene-2-sulfonic acid
CID 142894207
5-amino-1-(3-chlorophenyl)-3-ethylpyrazole-4-carboxylic acid
CID 71255665
5-amino-1-(3-chlorophenyl)-3-(methylamino)pyrazole-4-carbonitrile
CID 102795584
2-(3-chlorophenyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-3-amine
CID 83868844
2-[3,5-diamino-1-(3-chlorophenyl)pyrazol-4-yl]ethanol
CID 115056429
3-(3-chlorophenyl)-5-(4-methylphenyl)triazol-4-amine
CID 82370797
5-amino-1-(3-chlorophenyl)pyrazole-3-carboxylic acid
CID 82116964
1-[5-amino-1-(3-chlorophenyl)-3-methylpyrazol-4-yl]-1-(1H-benzimidazol-2-yl)-2,2,2-trifluoroethanol
CID 101497117

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-methylpyrazole-4,5-diamine?
The IUPAC name of 1-(3-chlorophenyl)-3-methylpyrazole-4,5-diamine (CID 10513268) is 1-(3-chlorophenyl)-3-methylpyrazole-4,5-diamine.
What is the SMILES notation for 1-(3-chlorophenyl)-3-methylpyrazole-4,5-diamine?
The canonical SMILES for 1-(3-chlorophenyl)-3-methylpyrazole-4,5-diamine is Cc1nn(-c2cccc(Cl)c2)c(N)c1N.
What is the InChIKey of 1-(3-chlorophenyl)-3-methylpyrazole-4,5-diamine?
The InChIKey is XFLISUJUFRHMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4/c1-6-9(12)10(13)15(14-6)8-4-2-3-7(11)5-8/h2-5H,12-13H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-3-methylpyrazole-4,5-diamine?
1-(3-chlorophenyl)-3-methylpyrazole-4,5-diamine has a molecular weight of 222.68 g/mol, XLogP of 2.00, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-methylpyrazole-4,5-diamine is sourced from PubChem (CID 10513268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).