1-(3-chlorophenyl)-3-N-methyl-3-N-phenylpyrazole-3,5-diamine

C16H15ClN4 — CID 83578862

IUPAC1-(3-chlorophenyl)-3-N-methyl-3-N-phenylpyrazole-3,5-diamine
SMILESCN(c1ccccc1)c1cc(N)n(-c2cccc(Cl)c2)n1
InChIInChI=1S/C16H15ClN4/c1-20(13-7-3-2-4-8-13)16-11-15(18)21(19-16)14-9-5-6-12(17)10-14/h2-11H,18H2,1H3
InChIKeyVFEVDCWKMDTXGD-UHFFFAOYSA-N
MW298.78 g/mol
LogP3.88
Rot. Bonds3

About 1-(3-chlorophenyl)-3-N-methyl-3-N-phenylpyrazole-3,5-diamine

1-(3-chlorophenyl)-3-N-methyl-3-N-phenylpyrazole-3,5-diamine (PubChem CID 83578862) has the molecular formula C16H15ClN4 and a molecular weight of 298.78 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-N-methyl-3-N-phenylpyrazole-3,5-diamine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-N-methyl-3-N-phenylpyrazole-3,5-diamine
PubChem CID83578862
Molecular FormulaC16H15ClN4
Molecular Weight298.78 g/mol
Exact Mass298.10
IUPAC Name1-(3-chlorophenyl)-3-N-methyl-3-N-phenylpyrazole-3,5-diamine
SMILESCN(c1ccccc1)c1cc(N)n(-c2cccc(Cl)c2)n1
InChIInChI=1S/C16H15ClN4/c1-20(13-7-3-2-4-8-13)16-11-15(18)21(19-16)14-9-5-6-12(17)10-14/h2-11H,18H2,1H3
InChIKeyVFEVDCWKMDTXGD-UHFFFAOYSA-N
XLogP3.88
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.78
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-N-methyl-3-N-phenylpyrazole-3,5-diamine?
The IUPAC name of 1-(3-chlorophenyl)-3-N-methyl-3-N-phenylpyrazole-3,5-diamine (CID 83578862) is 1-(3-chlorophenyl)-3-N-methyl-3-N-phenylpyrazole-3,5-diamine.
What is the SMILES notation for 1-(3-chlorophenyl)-3-N-methyl-3-N-phenylpyrazole-3,5-diamine?
The canonical SMILES for 1-(3-chlorophenyl)-3-N-methyl-3-N-phenylpyrazole-3,5-diamine is CN(c1ccccc1)c1cc(N)n(-c2cccc(Cl)c2)n1.
What is the InChIKey of 1-(3-chlorophenyl)-3-N-methyl-3-N-phenylpyrazole-3,5-diamine?
The InChIKey is VFEVDCWKMDTXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4/c1-20(13-7-3-2-4-8-13)16-11-15(18)21(19-16)14-9-5-6-12(17)10-14/h2-11H,18H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-3-N-methyl-3-N-phenylpyrazole-3,5-diamine?
1-(3-chlorophenyl)-3-N-methyl-3-N-phenylpyrazole-3,5-diamine has a molecular weight of 298.78 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-N-methyl-3-N-phenylpyrazole-3,5-diamine is sourced from PubChem (CID 83578862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).