3,5-dichloro-N-phenyl-1H-pyrazol-4-amine

C9H7Cl2N3 — CID 90390905

IUPAC3,5-dichloro-N-phenyl-1H-pyrazol-4-amine
SMILESClc1n[nH]c(Cl)c1Nc1ccccc1
InChIInChI=1S/C9H7Cl2N3/c10-8-7(9(11)14-13-8)12-6-4-2-1-3-5-6/h1-5,12H,(H,13,14)
InChIKeyMTVBEVVVNSKLHO-UHFFFAOYSA-N
MW228.08 g/mol
LogP3.46
Rot. Bonds2

About 3,5-dichloro-N-phenyl-1H-pyrazol-4-amine

3,5-dichloro-N-phenyl-1H-pyrazol-4-amine (PubChem CID 90390905) has the molecular formula C9H7Cl2N3 and a molecular weight of 228.08 g/mol. Its IUPAC name is 3,5-dichloro-N-phenyl-1H-pyrazol-4-amine.

Molecular Properties

Compound Name3,5-dichloro-N-phenyl-1H-pyrazol-4-amine
PubChem CID90390905
Molecular FormulaC9H7Cl2N3
Molecular Weight228.08 g/mol
Exact Mass227.00
IUPAC Name3,5-dichloro-N-phenyl-1H-pyrazol-4-amine
SMILESClc1n[nH]c(Cl)c1Nc1ccccc1
InChIInChI=1S/C9H7Cl2N3/c10-8-7(9(11)14-13-8)12-6-4-2-1-3-5-6/h1-5,12H,(H,13,14)
InChIKeyMTVBEVVVNSKLHO-UHFFFAOYSA-N
XLogP3.46
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.08
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-phenyl-1H-pyrazol-4-amine?
The IUPAC name of 3,5-dichloro-N-phenyl-1H-pyrazol-4-amine (CID 90390905) is 3,5-dichloro-N-phenyl-1H-pyrazol-4-amine.
What is the SMILES notation for 3,5-dichloro-N-phenyl-1H-pyrazol-4-amine?
The canonical SMILES for 3,5-dichloro-N-phenyl-1H-pyrazol-4-amine is Clc1n[nH]c(Cl)c1Nc1ccccc1.
What is the InChIKey of 3,5-dichloro-N-phenyl-1H-pyrazol-4-amine?
The InChIKey is MTVBEVVVNSKLHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2N3/c10-8-7(9(11)14-13-8)12-6-4-2-1-3-5-6/h1-5,12H,(H,13,14).
What are the key properties of 3,5-dichloro-N-phenyl-1H-pyrazol-4-amine?
3,5-dichloro-N-phenyl-1H-pyrazol-4-amine has a molecular weight of 228.08 g/mol, XLogP of 3.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-phenyl-1H-pyrazol-4-amine is sourced from PubChem (CID 90390905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).