3-chloro-N-(5-cyclopentyl-1H-pyrazol-3-yl)-5-methylpyridin-4-amine

C14H17ClN4 — CID 164880257

IUPAC3-chloro-N-(5-cyclopentyl-1H-pyrazol-3-yl)-5-methylpyridin-4-amine
SMILESCc1cncc(Cl)c1Nc1cc(C2CCCC2)[nH]n1
InChIInChI=1S/C14H17ClN4/c1-9-7-16-8-11(15)14(9)17-13-6-12(18-19-13)10-4-2-3-5-10/h6-8,10H,2-5H2,1H3,(H2,16,17,18,19)
InChIKeyIPJUCAHTEDWHEP-UHFFFAOYSA-N
MW276.77 g/mol
LogP4.17
Rot. Bonds3

About 3-chloro-N-(5-cyclopentyl-1H-pyrazol-3-yl)-5-methylpyridin-4-amine

3-chloro-N-(5-cyclopentyl-1H-pyrazol-3-yl)-5-methylpyridin-4-amine (PubChem CID 164880257) has the molecular formula C14H17ClN4 and a molecular weight of 276.77 g/mol. Its IUPAC name is 3-chloro-N-(5-cyclopentyl-1H-pyrazol-3-yl)-5-methylpyridin-4-amine.

Molecular Properties

Compound Name3-chloro-N-(5-cyclopentyl-1H-pyrazol-3-yl)-5-methylpyridin-4-amine
PubChem CID164880257
Molecular FormulaC14H17ClN4
Molecular Weight276.77 g/mol
Exact Mass276.11
IUPAC Name3-chloro-N-(5-cyclopentyl-1H-pyrazol-3-yl)-5-methylpyridin-4-amine
SMILESCc1cncc(Cl)c1Nc1cc(C2CCCC2)[nH]n1
InChIInChI=1S/C14H17ClN4/c1-9-7-16-8-11(15)14(9)17-13-6-12(18-19-13)10-4-2-3-5-10/h6-8,10H,2-5H2,1H3,(H2,16,17,18,19)
InChIKeyIPJUCAHTEDWHEP-UHFFFAOYSA-N
XLogP4.17
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(5-cyclopentyl-1H-pyrazol-3-yl)-5-methylpyridin-4-amine?
The IUPAC name of 3-chloro-N-(5-cyclopentyl-1H-pyrazol-3-yl)-5-methylpyridin-4-amine (CID 164880257) is 3-chloro-N-(5-cyclopentyl-1H-pyrazol-3-yl)-5-methylpyridin-4-amine.
What is the SMILES notation for 3-chloro-N-(5-cyclopentyl-1H-pyrazol-3-yl)-5-methylpyridin-4-amine?
The canonical SMILES for 3-chloro-N-(5-cyclopentyl-1H-pyrazol-3-yl)-5-methylpyridin-4-amine is Cc1cncc(Cl)c1Nc1cc(C2CCCC2)[nH]n1.
What is the InChIKey of 3-chloro-N-(5-cyclopentyl-1H-pyrazol-3-yl)-5-methylpyridin-4-amine?
The InChIKey is IPJUCAHTEDWHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4/c1-9-7-16-8-11(15)14(9)17-13-6-12(18-19-13)10-4-2-3-5-10/h6-8,10H,2-5H2,1H3,(H2,16,17,18,19).
What are the key properties of 3-chloro-N-(5-cyclopentyl-1H-pyrazol-3-yl)-5-methylpyridin-4-amine?
3-chloro-N-(5-cyclopentyl-1H-pyrazol-3-yl)-5-methylpyridin-4-amine has a molecular weight of 276.77 g/mol, XLogP of 4.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(5-cyclopentyl-1H-pyrazol-3-yl)-5-methylpyridin-4-amine is sourced from PubChem (CID 164880257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).