4-(3,4-dichlorophenyl)-1H-pyrazol-5-amine

C9H7Cl2N3 — CID 24844193

IUPAC4-(3,4-dichlorophenyl)-1H-pyrazol-5-amine
SMILESNc1[nH]ncc1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C9H7Cl2N3/c10-7-2-1-5(3-8(7)11)6-4-13-14-9(6)12/h1-4H,(H3,12,13,14)
InChIKeyBOQZHSXHBMCGES-UHFFFAOYSA-N
MW228.08 g/mol
LogP2.97
Rot. Bonds1

About 4-(3,4-dichlorophenyl)-1H-pyrazol-5-amine

4-(3,4-dichlorophenyl)-1H-pyrazol-5-amine (PubChem CID 24844193) has the molecular formula C9H7Cl2N3 and a molecular weight of 228.08 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)-1H-pyrazol-5-amine
PubChem CID24844193
Molecular FormulaC9H7Cl2N3
Molecular Weight228.08 g/mol
Exact Mass227.00
IUPAC Name4-(3,4-dichlorophenyl)-1H-pyrazol-5-amine
SMILESNc1[nH]ncc1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C9H7Cl2N3/c10-7-2-1-5(3-8(7)11)6-4-13-14-9(6)12/h1-4H,(H3,12,13,14)
InChIKeyBOQZHSXHBMCGES-UHFFFAOYSA-N
XLogP2.97
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.08
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)-1H-pyrazol-5-amine?
The IUPAC name of 4-(3,4-dichlorophenyl)-1H-pyrazol-5-amine (CID 24844193) is 4-(3,4-dichlorophenyl)-1H-pyrazol-5-amine.
What is the SMILES notation for 4-(3,4-dichlorophenyl)-1H-pyrazol-5-amine?
The canonical SMILES for 4-(3,4-dichlorophenyl)-1H-pyrazol-5-amine is Nc1[nH]ncc1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 4-(3,4-dichlorophenyl)-1H-pyrazol-5-amine?
The InChIKey is BOQZHSXHBMCGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2N3/c10-7-2-1-5(3-8(7)11)6-4-13-14-9(6)12/h1-4H,(H3,12,13,14).
What are the key properties of 4-(3,4-dichlorophenyl)-1H-pyrazol-5-amine?
4-(3,4-dichlorophenyl)-1H-pyrazol-5-amine has a molecular weight of 228.08 g/mol, XLogP of 2.97, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenyl)-1H-pyrazol-5-amine is sourced from PubChem (CID 24844193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).