3,5-dichloro-N-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]pyridin-2-amine

C16H14Cl2N4 — CID 4242520

IUPAC3,5-dichloro-N-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]pyridin-2-amine
SMILESCc1cc(Nc2ncc(Cl)cc2Cl)n(-c2ccccc2C)n1
InChIInChI=1S/C16H14Cl2N4/c1-10-5-3-4-6-14(10)22-15(7-11(2)21-22)20-16-13(18)8-12(17)9-19-16/h3-9H,1-2H3,(H,19,20)
InChIKeyHRESVQQCQHVPCR-UHFFFAOYSA-N
MW333.22 g/mol
LogP4.93
Rot. Bonds3

About 3,5-dichloro-N-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]pyridin-2-amine

3,5-dichloro-N-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]pyridin-2-amine (PubChem CID 4242520) has the molecular formula C16H14Cl2N4 and a molecular weight of 333.22 g/mol. Its IUPAC name is 3,5-dichloro-N-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]pyridin-2-amine.

Molecular Properties

Compound Name3,5-dichloro-N-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]pyridin-2-amine
PubChem CID4242520
Molecular FormulaC16H14Cl2N4
Molecular Weight333.22 g/mol
Exact Mass332.06
IUPAC Name3,5-dichloro-N-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]pyridin-2-amine
SMILESCc1cc(Nc2ncc(Cl)cc2Cl)n(-c2ccccc2C)n1
InChIInChI=1S/C16H14Cl2N4/c1-10-5-3-4-6-14(10)22-15(7-11(2)21-22)20-16-13(18)8-12(17)9-19-16/h3-9H,1-2H3,(H,19,20)
InChIKeyHRESVQQCQHVPCR-UHFFFAOYSA-N
XLogP4.93
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.22
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]pyridin-2-amine?
The IUPAC name of 3,5-dichloro-N-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]pyridin-2-amine (CID 4242520) is 3,5-dichloro-N-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]pyridin-2-amine.
What is the SMILES notation for 3,5-dichloro-N-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]pyridin-2-amine?
The canonical SMILES for 3,5-dichloro-N-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]pyridin-2-amine is Cc1cc(Nc2ncc(Cl)cc2Cl)n(-c2ccccc2C)n1.
What is the InChIKey of 3,5-dichloro-N-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]pyridin-2-amine?
The InChIKey is HRESVQQCQHVPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N4/c1-10-5-3-4-6-14(10)22-15(7-11(2)21-22)20-16-13(18)8-12(17)9-19-16/h3-9H,1-2H3,(H,19,20).
What are the key properties of 3,5-dichloro-N-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]pyridin-2-amine?
3,5-dichloro-N-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]pyridin-2-amine has a molecular weight of 333.22 g/mol, XLogP of 4.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]pyridin-2-amine is sourced from PubChem (CID 4242520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).