5-cyclopentyl-4-pyridin-4-yl-1H-pyrazol-3-amine

C13H16N4 — CID 80524682

IUPAC5-cyclopentyl-4-pyridin-4-yl-1H-pyrazol-3-amine
SMILESNc1n[nH]c(C2CCCC2)c1-c1ccncc1
InChIInChI=1S/C13H16N4/c14-13-11(9-5-7-15-8-6-9)12(16-17-13)10-3-1-2-4-10/h5-8,10H,1-4H2,(H3,14,16,17)
InChIKeyMDJLCZYXLRZEBD-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.71
Rot. Bonds2

About 5-cyclopentyl-4-pyridin-4-yl-1H-pyrazol-3-amine

5-cyclopentyl-4-pyridin-4-yl-1H-pyrazol-3-amine (PubChem CID 80524682) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 5-cyclopentyl-4-pyridin-4-yl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-cyclopentyl-4-pyridin-4-yl-1H-pyrazol-3-amine
PubChem CID80524682
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name5-cyclopentyl-4-pyridin-4-yl-1H-pyrazol-3-amine
SMILESNc1n[nH]c(C2CCCC2)c1-c1ccncc1
InChIInChI=1S/C13H16N4/c14-13-11(9-5-7-15-8-6-9)12(16-17-13)10-3-1-2-4-10/h5-8,10H,1-4H2,(H3,14,16,17)
InChIKeyMDJLCZYXLRZEBD-UHFFFAOYSA-N
XLogP2.71
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-4-pyridin-4-yl-1H-pyrazol-3-amine?
The IUPAC name of 5-cyclopentyl-4-pyridin-4-yl-1H-pyrazol-3-amine (CID 80524682) is 5-cyclopentyl-4-pyridin-4-yl-1H-pyrazol-3-amine.
What is the SMILES notation for 5-cyclopentyl-4-pyridin-4-yl-1H-pyrazol-3-amine?
The canonical SMILES for 5-cyclopentyl-4-pyridin-4-yl-1H-pyrazol-3-amine is Nc1n[nH]c(C2CCCC2)c1-c1ccncc1.
What is the InChIKey of 5-cyclopentyl-4-pyridin-4-yl-1H-pyrazol-3-amine?
The InChIKey is MDJLCZYXLRZEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c14-13-11(9-5-7-15-8-6-9)12(16-17-13)10-3-1-2-4-10/h5-8,10H,1-4H2,(H3,14,16,17).
What are the key properties of 5-cyclopentyl-4-pyridin-4-yl-1H-pyrazol-3-amine?
5-cyclopentyl-4-pyridin-4-yl-1H-pyrazol-3-amine has a molecular weight of 228.30 g/mol, XLogP of 2.71, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-4-pyridin-4-yl-1H-pyrazol-3-amine is sourced from PubChem (CID 80524682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).