4-(2,6-dichlorophenyl)-5-(1-methylpyrazol-3-yl)-1H-pyrazol-3-amine

C13H11Cl2N5 — CID 103118619

IUPAC4-(2,6-dichlorophenyl)-5-(1-methylpyrazol-3-yl)-1H-pyrazol-3-amine
SMILESCn1ccc(-c2[nH]nc(N)c2-c2c(Cl)cccc2Cl)n1
InChIInChI=1S/C13H11Cl2N5/c1-20-6-5-9(19-20)12-11(13(16)18-17-12)10-7(14)3-2-4-8(10)15/h2-6H,1H3,(H3,16,17,18)
InChIKeyKLNAHINDNHWWQZ-UHFFFAOYSA-N
MW308.17 g/mol
LogP3.37
Rot. Bonds2

About 4-(2,6-dichlorophenyl)-5-(1-methylpyrazol-3-yl)-1H-pyrazol-3-amine

4-(2,6-dichlorophenyl)-5-(1-methylpyrazol-3-yl)-1H-pyrazol-3-amine (PubChem CID 103118619) has the molecular formula C13H11Cl2N5 and a molecular weight of 308.17 g/mol. Its IUPAC name is 4-(2,6-dichlorophenyl)-5-(1-methylpyrazol-3-yl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-(2,6-dichlorophenyl)-5-(1-methylpyrazol-3-yl)-1H-pyrazol-3-amine
PubChem CID103118619
Molecular FormulaC13H11Cl2N5
Molecular Weight308.17 g/mol
Exact Mass307.04
IUPAC Name4-(2,6-dichlorophenyl)-5-(1-methylpyrazol-3-yl)-1H-pyrazol-3-amine
SMILESCn1ccc(-c2[nH]nc(N)c2-c2c(Cl)cccc2Cl)n1
InChIInChI=1S/C13H11Cl2N5/c1-20-6-5-9(19-20)12-11(13(16)18-17-12)10-7(14)3-2-4-8(10)15/h2-6H,1H3,(H3,16,17,18)
InChIKeyKLNAHINDNHWWQZ-UHFFFAOYSA-N
XLogP3.37
TPSA72.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.17
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dichlorophenyl)-5-(1-methylpyrazol-3-yl)-1H-pyrazol-3-amine?
The IUPAC name of 4-(2,6-dichlorophenyl)-5-(1-methylpyrazol-3-yl)-1H-pyrazol-3-amine (CID 103118619) is 4-(2,6-dichlorophenyl)-5-(1-methylpyrazol-3-yl)-1H-pyrazol-3-amine.
What is the SMILES notation for 4-(2,6-dichlorophenyl)-5-(1-methylpyrazol-3-yl)-1H-pyrazol-3-amine?
The canonical SMILES for 4-(2,6-dichlorophenyl)-5-(1-methylpyrazol-3-yl)-1H-pyrazol-3-amine is Cn1ccc(-c2[nH]nc(N)c2-c2c(Cl)cccc2Cl)n1.
What is the InChIKey of 4-(2,6-dichlorophenyl)-5-(1-methylpyrazol-3-yl)-1H-pyrazol-3-amine?
The InChIKey is KLNAHINDNHWWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N5/c1-20-6-5-9(19-20)12-11(13(16)18-17-12)10-7(14)3-2-4-8(10)15/h2-6H,1H3,(H3,16,17,18).
What are the key properties of 4-(2,6-dichlorophenyl)-5-(1-methylpyrazol-3-yl)-1H-pyrazol-3-amine?
4-(2,6-dichlorophenyl)-5-(1-methylpyrazol-3-yl)-1H-pyrazol-3-amine has a molecular weight of 308.17 g/mol, XLogP of 3.37, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dichlorophenyl)-5-(1-methylpyrazol-3-yl)-1H-pyrazol-3-amine is sourced from PubChem (CID 103118619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).