3-(3-chloro-4-pyrazol-1-ylphenyl)-1-methylpyrazol-5-amine

C13H12ClN5 — CID 117437053

IUPAC3-(3-chloro-4-pyrazol-1-ylphenyl)-1-methylpyrazol-5-amine
SMILESCn1nc(-c2ccc(-n3cccn3)c(Cl)c2)cc1N
InChIInChI=1S/C13H12ClN5/c1-18-13(15)8-11(17-18)9-3-4-12(10(14)7-9)19-6-2-5-16-19/h2-8H,15H2,1H3
InChIKeyAWLKEOBEJYDJRQ-UHFFFAOYSA-N
MW273.73 g/mol
LogP2.51
Rot. Bonds2

About 3-(3-chloro-4-pyrazol-1-ylphenyl)-1-methylpyrazol-5-amine

3-(3-chloro-4-pyrazol-1-ylphenyl)-1-methylpyrazol-5-amine (PubChem CID 117437053) has the molecular formula C13H12ClN5 and a molecular weight of 273.73 g/mol. Its IUPAC name is 3-(3-chloro-4-pyrazol-1-ylphenyl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-(3-chloro-4-pyrazol-1-ylphenyl)-1-methylpyrazol-5-amine
PubChem CID117437053
Molecular FormulaC13H12ClN5
Molecular Weight273.73 g/mol
Exact Mass273.08
IUPAC Name3-(3-chloro-4-pyrazol-1-ylphenyl)-1-methylpyrazol-5-amine
SMILESCn1nc(-c2ccc(-n3cccn3)c(Cl)c2)cc1N
InChIInChI=1S/C13H12ClN5/c1-18-13(15)8-11(17-18)9-3-4-12(10(14)7-9)19-6-2-5-16-19/h2-8H,15H2,1H3
InChIKeyAWLKEOBEJYDJRQ-UHFFFAOYSA-N
XLogP2.51
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.73
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-pyrazol-1-ylphenyl)-1-methylpyrazol-5-amine?
The IUPAC name of 3-(3-chloro-4-pyrazol-1-ylphenyl)-1-methylpyrazol-5-amine (CID 117437053) is 3-(3-chloro-4-pyrazol-1-ylphenyl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 3-(3-chloro-4-pyrazol-1-ylphenyl)-1-methylpyrazol-5-amine?
The canonical SMILES for 3-(3-chloro-4-pyrazol-1-ylphenyl)-1-methylpyrazol-5-amine is Cn1nc(-c2ccc(-n3cccn3)c(Cl)c2)cc1N.
What is the InChIKey of 3-(3-chloro-4-pyrazol-1-ylphenyl)-1-methylpyrazol-5-amine?
The InChIKey is AWLKEOBEJYDJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN5/c1-18-13(15)8-11(17-18)9-3-4-12(10(14)7-9)19-6-2-5-16-19/h2-8H,15H2,1H3.
What are the key properties of 3-(3-chloro-4-pyrazol-1-ylphenyl)-1-methylpyrazol-5-amine?
3-(3-chloro-4-pyrazol-1-ylphenyl)-1-methylpyrazol-5-amine has a molecular weight of 273.73 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-pyrazol-1-ylphenyl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 117437053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).