2-(1-cyclopropylethyl)-N-(3,6-dihydro-2H-pyran-5-ylmethyl)pyrazol-3-amine

C14H21N3O — CID 102553469

IUPAC2-(1-cyclopropylethyl)-N-(3,6-dihydro-2H-pyran-5-ylmethyl)pyrazol-3-amine
SMILESCC(C1CC1)n1nccc1NCC1=CCCOC1
InChIInChI=1S/C14H21N3O/c1-11(13-4-5-13)17-14(6-7-16-17)15-9-12-3-2-8-18-10-12/h3,6-7,11,13,15H,2,4-5,8-10H2,1H3
InChIKeyAGYUXUBSPWREAU-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.61
Rot. Bonds5

About 2-(1-cyclopropylethyl)-N-(3,6-dihydro-2H-pyran-5-ylmethyl)pyrazol-3-amine

2-(1-cyclopropylethyl)-N-(3,6-dihydro-2H-pyran-5-ylmethyl)pyrazol-3-amine (PubChem CID 102553469) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-(1-cyclopropylethyl)-N-(3,6-dihydro-2H-pyran-5-ylmethyl)pyrazol-3-amine.

Molecular Properties

Compound Name2-(1-cyclopropylethyl)-N-(3,6-dihydro-2H-pyran-5-ylmethyl)pyrazol-3-amine
PubChem CID102553469
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-(1-cyclopropylethyl)-N-(3,6-dihydro-2H-pyran-5-ylmethyl)pyrazol-3-amine
SMILESCC(C1CC1)n1nccc1NCC1=CCCOC1
InChIInChI=1S/C14H21N3O/c1-11(13-4-5-13)17-14(6-7-16-17)15-9-12-3-2-8-18-10-12/h3,6-7,11,13,15H,2,4-5,8-10H2,1H3
InChIKeyAGYUXUBSPWREAU-UHFFFAOYSA-N
XLogP2.61
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropylethyl)-N-(3,6-dihydro-2H-pyran-5-ylmethyl)pyrazol-3-amine?
The IUPAC name of 2-(1-cyclopropylethyl)-N-(3,6-dihydro-2H-pyran-5-ylmethyl)pyrazol-3-amine (CID 102553469) is 2-(1-cyclopropylethyl)-N-(3,6-dihydro-2H-pyran-5-ylmethyl)pyrazol-3-amine.
What is the SMILES notation for 2-(1-cyclopropylethyl)-N-(3,6-dihydro-2H-pyran-5-ylmethyl)pyrazol-3-amine?
The canonical SMILES for 2-(1-cyclopropylethyl)-N-(3,6-dihydro-2H-pyran-5-ylmethyl)pyrazol-3-amine is CC(C1CC1)n1nccc1NCC1=CCCOC1.
What is the InChIKey of 2-(1-cyclopropylethyl)-N-(3,6-dihydro-2H-pyran-5-ylmethyl)pyrazol-3-amine?
The InChIKey is AGYUXUBSPWREAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-11(13-4-5-13)17-14(6-7-16-17)15-9-12-3-2-8-18-10-12/h3,6-7,11,13,15H,2,4-5,8-10H2,1H3.
What are the key properties of 2-(1-cyclopropylethyl)-N-(3,6-dihydro-2H-pyran-5-ylmethyl)pyrazol-3-amine?
2-(1-cyclopropylethyl)-N-(3,6-dihydro-2H-pyran-5-ylmethyl)pyrazol-3-amine has a molecular weight of 247.34 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropylethyl)-N-(3,6-dihydro-2H-pyran-5-ylmethyl)pyrazol-3-amine is sourced from PubChem (CID 102553469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).