N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-(1H-pyrazol-5-yl)aniline

C15H17N3O — CID 62064732

IUPACN-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-(1H-pyrazol-5-yl)aniline
SMILESC1=COC(CNc2ccc(-c3ccn[nH]3)cc2)CC1
InChIInChI=1S/C15H17N3O/c1-2-10-19-14(3-1)11-16-13-6-4-12(5-7-13)15-8-9-17-18-15/h2,4-10,14,16H,1,3,11H2,(H,17,18)
InChIKeyLOEQELPBZQPPCJ-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.18
Rot. Bonds4

About N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-(1H-pyrazol-5-yl)aniline

N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-(1H-pyrazol-5-yl)aniline (PubChem CID 62064732) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-(1H-pyrazol-5-yl)aniline.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-(1H-pyrazol-5-yl)aniline
PubChem CID62064732
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-(1H-pyrazol-5-yl)aniline
SMILESC1=COC(CNc2ccc(-c3ccn[nH]3)cc2)CC1
InChIInChI=1S/C15H17N3O/c1-2-10-19-14(3-1)11-16-13-6-4-12(5-7-13)15-8-9-17-18-15/h2,4-10,14,16H,1,3,11H2,(H,17,18)
InChIKeyLOEQELPBZQPPCJ-UHFFFAOYSA-N
XLogP3.18
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-(1H-pyrazol-5-yl)aniline 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 N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-(1H-pyrazol-5-yl)aniline?
The IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-(1H-pyrazol-5-yl)aniline (CID 62064732) is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-(1H-pyrazol-5-yl)aniline.
What is the SMILES notation for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-(1H-pyrazol-5-yl)aniline?
The canonical SMILES for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-(1H-pyrazol-5-yl)aniline is C1=COC(CNc2ccc(-c3ccn[nH]3)cc2)CC1.
What is the InChIKey of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-(1H-pyrazol-5-yl)aniline?
The InChIKey is LOEQELPBZQPPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-2-10-19-14(3-1)11-16-13-6-4-12(5-7-13)15-8-9-17-18-15/h2,4-10,14,16H,1,3,11H2,(H,17,18).
What are the key properties of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-(1H-pyrazol-5-yl)aniline?
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-(1H-pyrazol-5-yl)aniline has a molecular weight of 255.32 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-(1H-pyrazol-5-yl)aniline is sourced from PubChem (CID 62064732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).