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

C14H21N3O — CID 99617390

IUPAC2-[(1S)-1-cyclopropylethyl]-N-(3,6-dihydro-2H-pyran-5-ylmethyl)pyrazol-3-amine
SMILESC[C@@H](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/t11-/m0/s1
InChIKeyAGYUXUBSPWREAU-NSHDSACASA-N
MW247.34 g/mol
LogP2.61
Rot. Bonds5

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

2-[(1S)-1-cyclopropylethyl]-N-(3,6-dihydro-2H-pyran-5-ylmethyl)pyrazol-3-amine (PubChem CID 99617390) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-[(1S)-1-cyclopropylethyl]-N-(3,6-dihydro-2H-pyran-5-ylmethyl)pyrazol-3-amine.

Molecular Properties

Compound Name2-[(1S)-1-cyclopropylethyl]-N-(3,6-dihydro-2H-pyran-5-ylmethyl)pyrazol-3-amine
PubChem CID99617390
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-[(1S)-1-cyclopropylethyl]-N-(3,6-dihydro-2H-pyran-5-ylmethyl)pyrazol-3-amine
SMILESC[C@@H](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/t11-/m0/s1
InChIKeyAGYUXUBSPWREAU-NSHDSACASA-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'}

Analyze 2-[(1S)-1-cyclopropylethyl]-N-(3,6-dihydro-2H-pyran-5-ylmethyl)pyrazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-cyclopropylethyl]-N-(3,6-dihydro-2H-pyran-5-ylmethyl)pyrazol-3-amine?
The IUPAC name of 2-[(1S)-1-cyclopropylethyl]-N-(3,6-dihydro-2H-pyran-5-ylmethyl)pyrazol-3-amine (CID 99617390) is 2-[(1S)-1-cyclopropylethyl]-N-(3,6-dihydro-2H-pyran-5-ylmethyl)pyrazol-3-amine.
What is the SMILES notation for 2-[(1S)-1-cyclopropylethyl]-N-(3,6-dihydro-2H-pyran-5-ylmethyl)pyrazol-3-amine?
The canonical SMILES for 2-[(1S)-1-cyclopropylethyl]-N-(3,6-dihydro-2H-pyran-5-ylmethyl)pyrazol-3-amine is C[C@@H](C1CC1)n1nccc1NCC1=CCCOC1.
What is the InChIKey of 2-[(1S)-1-cyclopropylethyl]-N-(3,6-dihydro-2H-pyran-5-ylmethyl)pyrazol-3-amine?
The InChIKey is AGYUXUBSPWREAU-NSHDSACASA-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/t11-/m0/s1.
What are the key properties of 2-[(1S)-1-cyclopropylethyl]-N-(3,6-dihydro-2H-pyran-5-ylmethyl)pyrazol-3-amine?
2-[(1S)-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-[(1S)-1-cyclopropylethyl]-N-(3,6-dihydro-2H-pyran-5-ylmethyl)pyrazol-3-amine is sourced from PubChem (CID 99617390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).