4-N-(3,4-dichlorophenyl)-1H-pyrazole-4,5-diamine

C9H8Cl2N4 — CID 114991830

IUPAC4-N-(3,4-dichlorophenyl)-1H-pyrazole-4,5-diamine
SMILESNc1[nH]ncc1Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C9H8Cl2N4/c10-6-2-1-5(3-7(6)11)14-8-4-13-15-9(8)12/h1-4,14H,(H3,12,13,15)
InChIKeySOIGMPGDVSNCRE-UHFFFAOYSA-N
MW243.10 g/mol
LogP3.04
Rot. Bonds2

About 4-N-(3,4-dichlorophenyl)-1H-pyrazole-4,5-diamine

4-N-(3,4-dichlorophenyl)-1H-pyrazole-4,5-diamine (PubChem CID 114991830) has the molecular formula C9H8Cl2N4 and a molecular weight of 243.10 g/mol. Its IUPAC name is 4-N-(3,4-dichlorophenyl)-1H-pyrazole-4,5-diamine.

Molecular Properties

Compound Name4-N-(3,4-dichlorophenyl)-1H-pyrazole-4,5-diamine
PubChem CID114991830
Molecular FormulaC9H8Cl2N4
Molecular Weight243.10 g/mol
Exact Mass242.01
IUPAC Name4-N-(3,4-dichlorophenyl)-1H-pyrazole-4,5-diamine
SMILESNc1[nH]ncc1Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C9H8Cl2N4/c10-6-2-1-5(3-7(6)11)14-8-4-13-15-9(8)12/h1-4,14H,(H3,12,13,15)
InChIKeySOIGMPGDVSNCRE-UHFFFAOYSA-N
XLogP3.04
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.10
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(3-chlorophenyl)-1H-pyrazole-4,5-diamine
CID 57126804
4-N-(3-fluoro-4-methoxyphenyl)-1H-pyrazole-4,5-diamine
CID 82236271
4-N-(3-chloro-2-fluorophenyl)-1H-pyrazole-4,5-diamine
CID 82234948
5-(3,4-dichloroanilino)-1H-pyrazole-4-carboxamide
CID 123557222
3-N-(3,4-dichlorophenyl)-2-methylbenzene-1,3-diamine
CID 55147179
5-chloro-4-N-(3,4-dichlorophenyl)pyrimidine-2,4-diamine
CID 80769033
4-amino-3-(3,4-dichloroanilino)benzenesulfonamide
CID 82907760
4-N-(2-ethylphenyl)-1H-pyrazole-4,5-diamine
CID 82236252
5-amino-N-(4-chloro-3-fluorophenyl)-1H-pyrazole-4-sulfonamide
CID 54955523
1-N-(3,4-dichlorophenyl)-4-methylsulfonylbenzene-1,2-diamine
CID 43448039
4-N-(4-methoxy-2-methylphenyl)-1H-pyrazole-4,5-diamine
CID 82237771
5-(3,4-dichloroanilino)-1H-pyrimidine-2,4-dione
CID 17275056

Frequently Asked Questions

What is the IUPAC name of 4-N-(3,4-dichlorophenyl)-1H-pyrazole-4,5-diamine?
The IUPAC name of 4-N-(3,4-dichlorophenyl)-1H-pyrazole-4,5-diamine (CID 114991830) is 4-N-(3,4-dichlorophenyl)-1H-pyrazole-4,5-diamine.
What is the SMILES notation for 4-N-(3,4-dichlorophenyl)-1H-pyrazole-4,5-diamine?
The canonical SMILES for 4-N-(3,4-dichlorophenyl)-1H-pyrazole-4,5-diamine is Nc1[nH]ncc1Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 4-N-(3,4-dichlorophenyl)-1H-pyrazole-4,5-diamine?
The InChIKey is SOIGMPGDVSNCRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2N4/c10-6-2-1-5(3-7(6)11)14-8-4-13-15-9(8)12/h1-4,14H,(H3,12,13,15).
What are the key properties of 4-N-(3,4-dichlorophenyl)-1H-pyrazole-4,5-diamine?
4-N-(3,4-dichlorophenyl)-1H-pyrazole-4,5-diamine has a molecular weight of 243.10 g/mol, XLogP of 3.04, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,4-dichlorophenyl)-1H-pyrazole-4,5-diamine is sourced from PubChem (CID 114991830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).