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

C9H9ClN4 — CID 57126804

IUPAC4-N-(3-chlorophenyl)-1H-pyrazole-4,5-diamine
SMILESNc1[nH]ncc1Nc1cccc(Cl)c1
InChIInChI=1S/C9H9ClN4/c10-6-2-1-3-7(4-6)13-8-5-12-14-9(8)11/h1-5,13H,(H3,11,12,14)
InChIKeyAOKPZEFVROUSHF-UHFFFAOYSA-N
MW208.65 g/mol
LogP2.39
Rot. Bonds2

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

4-N-(3-chlorophenyl)-1H-pyrazole-4,5-diamine (PubChem CID 57126804) has the molecular formula C9H9ClN4 and a molecular weight of 208.65 g/mol. Its IUPAC name is 4-N-(3-chlorophenyl)-1H-pyrazole-4,5-diamine.

Molecular Properties

Compound Name4-N-(3-chlorophenyl)-1H-pyrazole-4,5-diamine
PubChem CID57126804
Molecular FormulaC9H9ClN4
Molecular Weight208.65 g/mol
Exact Mass208.05
IUPAC Name4-N-(3-chlorophenyl)-1H-pyrazole-4,5-diamine
SMILESNc1[nH]ncc1Nc1cccc(Cl)c1
InChIInChI=1S/C9H9ClN4/c10-6-2-1-3-7(4-6)13-8-5-12-14-9(8)11/h1-5,13H,(H3,11,12,14)
InChIKeyAOKPZEFVROUSHF-UHFFFAOYSA-N
XLogP2.39
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.65
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(3,4-dichlorophenyl)-1H-pyrazole-4,5-diamine
CID 114991830
4-N-(3-chlorophenyl)-5-N-(4-iodophenyl)-1H-pyrazole-4,5-diamine
CID 57295767
N-[4-(3-chloroanilino)-1H-pyrazol-5-yl]methanesulfonamide
CID 57244208
2-[[4-(3-chloroanilino)-1H-pyrazol-5-yl]amino]ethylurea
CID 57098049
4-N-(3-chloro-2-fluorophenyl)-1H-pyrazole-4,5-diamine
CID 82234948
2-amino-5-(3-chloroanilino)-1H-pyrimidin-6-one
CID 91621942
N-[4-[[[4-(3-chloroanilino)-1H-pyrazol-5-yl]amino]methyl]phenyl]formamide
CID 57071330
N-[2-[[4-(3-chloroanilino)-1H-pyrazol-5-yl]amino]ethyl]benzamide
CID 57263599
N-[3-[4-(3-chloroanilino)-1H-pyrazol-5-yl]phenyl]propanamide
CID 57298787
N-[4-[4-(3-chloroanilino)-1H-pyrazol-5-yl]phenyl]-4-methylbenzenesulfonamide
CID 67645185
4-N-(3-fluoro-4-methoxyphenyl)-1H-pyrazole-4,5-diamine
CID 82236271
2-amino-3-(3-chloroanilino)benzamide
CID 113332446

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-chlorophenyl)-1H-pyrazole-4,5-diamine?
The IUPAC name of 4-N-(3-chlorophenyl)-1H-pyrazole-4,5-diamine (CID 57126804) is 4-N-(3-chlorophenyl)-1H-pyrazole-4,5-diamine.
What is the SMILES notation for 4-N-(3-chlorophenyl)-1H-pyrazole-4,5-diamine?
The canonical SMILES for 4-N-(3-chlorophenyl)-1H-pyrazole-4,5-diamine is Nc1[nH]ncc1Nc1cccc(Cl)c1.
What is the InChIKey of 4-N-(3-chlorophenyl)-1H-pyrazole-4,5-diamine?
The InChIKey is AOKPZEFVROUSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4/c10-6-2-1-3-7(4-6)13-8-5-12-14-9(8)11/h1-5,13H,(H3,11,12,14).
What are the key properties of 4-N-(3-chlorophenyl)-1H-pyrazole-4,5-diamine?
4-N-(3-chlorophenyl)-1H-pyrazole-4,5-diamine has a molecular weight of 208.65 g/mol, XLogP of 2.39, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-chlorophenyl)-1H-pyrazole-4,5-diamine is sourced from PubChem (CID 57126804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).