1-(1-cyclopropylethyl)-3-pyridin-2-ylpyrazol-4-amine

C13H16N4 — CID 83217482

IUPAC1-(1-cyclopropylethyl)-3-pyridin-2-ylpyrazol-4-amine
SMILESCC(C1CC1)n1cc(N)c(-c2ccccn2)n1
InChIInChI=1S/C13H16N4/c1-9(10-5-6-10)17-8-11(14)13(16-17)12-4-2-3-7-15-12/h2-4,7-10H,5-6,14H2,1H3
InChIKeyNYYHMLYBXCSYNF-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.50
Rot. Bonds3

About 1-(1-cyclopropylethyl)-3-pyridin-2-ylpyrazol-4-amine

1-(1-cyclopropylethyl)-3-pyridin-2-ylpyrazol-4-amine (PubChem CID 83217482) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 1-(1-cyclopropylethyl)-3-pyridin-2-ylpyrazol-4-amine.

Molecular Properties

Compound Name1-(1-cyclopropylethyl)-3-pyridin-2-ylpyrazol-4-amine
PubChem CID83217482
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name1-(1-cyclopropylethyl)-3-pyridin-2-ylpyrazol-4-amine
SMILESCC(C1CC1)n1cc(N)c(-c2ccccn2)n1
InChIInChI=1S/C13H16N4/c1-9(10-5-6-10)17-8-11(14)13(16-17)12-4-2-3-7-15-12/h2-4,7-10H,5-6,14H2,1H3
InChIKeyNYYHMLYBXCSYNF-UHFFFAOYSA-N
XLogP2.50
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylethyl)-3-pyridin-2-ylpyrazol-4-amine?
The IUPAC name of 1-(1-cyclopropylethyl)-3-pyridin-2-ylpyrazol-4-amine (CID 83217482) is 1-(1-cyclopropylethyl)-3-pyridin-2-ylpyrazol-4-amine.
What is the SMILES notation for 1-(1-cyclopropylethyl)-3-pyridin-2-ylpyrazol-4-amine?
The canonical SMILES for 1-(1-cyclopropylethyl)-3-pyridin-2-ylpyrazol-4-amine is CC(C1CC1)n1cc(N)c(-c2ccccn2)n1.
What is the InChIKey of 1-(1-cyclopropylethyl)-3-pyridin-2-ylpyrazol-4-amine?
The InChIKey is NYYHMLYBXCSYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-9(10-5-6-10)17-8-11(14)13(16-17)12-4-2-3-7-15-12/h2-4,7-10H,5-6,14H2,1H3.
What are the key properties of 1-(1-cyclopropylethyl)-3-pyridin-2-ylpyrazol-4-amine?
1-(1-cyclopropylethyl)-3-pyridin-2-ylpyrazol-4-amine has a molecular weight of 228.30 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylethyl)-3-pyridin-2-ylpyrazol-4-amine is sourced from PubChem (CID 83217482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).