5-chloro-6-[(4-phenylpyrazol-1-yl)methyl]pyridin-2-amine

C15H13ClN4 — CID 62885446

IUPAC5-chloro-6-[(4-phenylpyrazol-1-yl)methyl]pyridin-2-amine
SMILESNc1ccc(Cl)c(Cn2cc(-c3ccccc3)cn2)n1
InChIInChI=1S/C15H13ClN4/c16-13-6-7-15(17)19-14(13)10-20-9-12(8-18-20)11-4-2-1-3-5-11/h1-9H,10H2,(H2,17,19)
InChIKeyJUJSRSYDNVXNDW-UHFFFAOYSA-N
MW284.75 g/mol
LogP3.23
Rot. Bonds3

About 5-chloro-6-[(4-phenylpyrazol-1-yl)methyl]pyridin-2-amine

5-chloro-6-[(4-phenylpyrazol-1-yl)methyl]pyridin-2-amine (PubChem CID 62885446) has the molecular formula C15H13ClN4 and a molecular weight of 284.75 g/mol. Its IUPAC name is 5-chloro-6-[(4-phenylpyrazol-1-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-6-[(4-phenylpyrazol-1-yl)methyl]pyridin-2-amine
PubChem CID62885446
Molecular FormulaC15H13ClN4
Molecular Weight284.75 g/mol
Exact Mass284.08
IUPAC Name5-chloro-6-[(4-phenylpyrazol-1-yl)methyl]pyridin-2-amine
SMILESNc1ccc(Cl)c(Cn2cc(-c3ccccc3)cn2)n1
InChIInChI=1S/C15H13ClN4/c16-13-6-7-15(17)19-14(13)10-20-9-12(8-18-20)11-4-2-1-3-5-11/h1-9H,10H2,(H2,17,19)
InChIKeyJUJSRSYDNVXNDW-UHFFFAOYSA-N
XLogP3.23
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[(4-phenylpyrazol-1-yl)methyl]pyridin-2-amine?
The IUPAC name of 5-chloro-6-[(4-phenylpyrazol-1-yl)methyl]pyridin-2-amine (CID 62885446) is 5-chloro-6-[(4-phenylpyrazol-1-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-6-[(4-phenylpyrazol-1-yl)methyl]pyridin-2-amine?
The canonical SMILES for 5-chloro-6-[(4-phenylpyrazol-1-yl)methyl]pyridin-2-amine is Nc1ccc(Cl)c(Cn2cc(-c3ccccc3)cn2)n1.
What is the InChIKey of 5-chloro-6-[(4-phenylpyrazol-1-yl)methyl]pyridin-2-amine?
The InChIKey is JUJSRSYDNVXNDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4/c16-13-6-7-15(17)19-14(13)10-20-9-12(8-18-20)11-4-2-1-3-5-11/h1-9H,10H2,(H2,17,19).
What are the key properties of 5-chloro-6-[(4-phenylpyrazol-1-yl)methyl]pyridin-2-amine?
5-chloro-6-[(4-phenylpyrazol-1-yl)methyl]pyridin-2-amine has a molecular weight of 284.75 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[(4-phenylpyrazol-1-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 62885446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).