N-[(2-ethylpyrazol-3-yl)methyl]-2-pyrazol-1-ylpyridin-3-amine

C14H16N6 — CID 75505630

IUPACN-[(2-ethylpyrazol-3-yl)methyl]-2-pyrazol-1-ylpyridin-3-amine
SMILESCCn1nccc1CNc1cccnc1-n1cccn1
InChIInChI=1S/C14H16N6/c1-2-19-12(6-9-18-19)11-16-13-5-3-7-15-14(13)20-10-4-8-17-20/h3-10,16H,2,11H2,1H3
InChIKeyLQRBQMUEDWILGJ-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.10
Rot. Bonds5

About N-[(2-ethylpyrazol-3-yl)methyl]-2-pyrazol-1-ylpyridin-3-amine

N-[(2-ethylpyrazol-3-yl)methyl]-2-pyrazol-1-ylpyridin-3-amine (PubChem CID 75505630) has the molecular formula C14H16N6 and a molecular weight of 268.32 g/mol. Its IUPAC name is N-[(2-ethylpyrazol-3-yl)methyl]-2-pyrazol-1-ylpyridin-3-amine.

Molecular Properties

Compound NameN-[(2-ethylpyrazol-3-yl)methyl]-2-pyrazol-1-ylpyridin-3-amine
PubChem CID75505630
Molecular FormulaC14H16N6
Molecular Weight268.32 g/mol
Exact Mass268.14
IUPAC NameN-[(2-ethylpyrazol-3-yl)methyl]-2-pyrazol-1-ylpyridin-3-amine
SMILESCCn1nccc1CNc1cccnc1-n1cccn1
InChIInChI=1S/C14H16N6/c1-2-19-12(6-9-18-19)11-16-13-5-3-7-15-14(13)20-10-4-8-17-20/h3-10,16H,2,11H2,1H3
InChIKeyLQRBQMUEDWILGJ-UHFFFAOYSA-N
XLogP2.10
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylpyrazol-3-yl)methyl]-2-pyrazol-1-ylpyridin-3-amine?
The IUPAC name of N-[(2-ethylpyrazol-3-yl)methyl]-2-pyrazol-1-ylpyridin-3-amine (CID 75505630) is N-[(2-ethylpyrazol-3-yl)methyl]-2-pyrazol-1-ylpyridin-3-amine.
What is the SMILES notation for N-[(2-ethylpyrazol-3-yl)methyl]-2-pyrazol-1-ylpyridin-3-amine?
The canonical SMILES for N-[(2-ethylpyrazol-3-yl)methyl]-2-pyrazol-1-ylpyridin-3-amine is CCn1nccc1CNc1cccnc1-n1cccn1.
What is the InChIKey of N-[(2-ethylpyrazol-3-yl)methyl]-2-pyrazol-1-ylpyridin-3-amine?
The InChIKey is LQRBQMUEDWILGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6/c1-2-19-12(6-9-18-19)11-16-13-5-3-7-15-14(13)20-10-4-8-17-20/h3-10,16H,2,11H2,1H3.
What are the key properties of N-[(2-ethylpyrazol-3-yl)methyl]-2-pyrazol-1-ylpyridin-3-amine?
N-[(2-ethylpyrazol-3-yl)methyl]-2-pyrazol-1-ylpyridin-3-amine has a molecular weight of 268.32 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylpyrazol-3-yl)methyl]-2-pyrazol-1-ylpyridin-3-amine is sourced from PubChem (CID 75505630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).