N-(oxolan-3-ylmethyl)-3-(pyrazol-1-ylmethyl)aniline

C15H19N3O — CID 43738881

IUPACN-(oxolan-3-ylmethyl)-3-(pyrazol-1-ylmethyl)aniline
SMILESc1cc(Cn2cccn2)cc(NCC2CCOC2)c1
InChIInChI=1S/C15H19N3O/c1-3-13(11-18-7-2-6-17-18)9-15(4-1)16-10-14-5-8-19-12-14/h1-4,6-7,9,14,16H,5,8,10-12H2
InChIKeyMUIFCONMGLYWEJ-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.38
Rot. Bonds5

About N-(oxolan-3-ylmethyl)-3-(pyrazol-1-ylmethyl)aniline

N-(oxolan-3-ylmethyl)-3-(pyrazol-1-ylmethyl)aniline (PubChem CID 43738881) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-(oxolan-3-ylmethyl)-3-(pyrazol-1-ylmethyl)aniline.

Molecular Properties

Compound NameN-(oxolan-3-ylmethyl)-3-(pyrazol-1-ylmethyl)aniline
PubChem CID43738881
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-(oxolan-3-ylmethyl)-3-(pyrazol-1-ylmethyl)aniline
SMILESc1cc(Cn2cccn2)cc(NCC2CCOC2)c1
InChIInChI=1S/C15H19N3O/c1-3-13(11-18-7-2-6-17-18)9-15(4-1)16-10-14-5-8-19-12-14/h1-4,6-7,9,14,16H,5,8,10-12H2
InChIKeyMUIFCONMGLYWEJ-UHFFFAOYSA-N
XLogP2.38
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(oxolan-3-ylmethyl)-3-(pyrazol-1-ylmethyl)aniline with MolForge

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

Launch Full Analysis

Related Compounds

N-[[(2S,4R)-2-methyloxan-4-yl]methyl]-3-(pyrazol-1-ylmethyl)aniline
CID 97340717
3-(methoxymethyl)-N-(oxolan-3-ylmethyl)aniline
CID 43672256
N-[3-(pyrazol-1-ylmethyl)phenyl]oxane-4-carboxamide
CID 39190126
3-ethylsulfanyl-N-(oxolan-3-ylmethyl)aniline
CID 115887989
N-(cyclopropylmethyl)-3-(1,2,4-triazol-1-ylmethyl)aniline
CID 54866198
N-[3-(oxolan-3-ylmethylamino)phenyl]methanesulfonamide
CID 43208091
3-(oxolan-3-ylmethylamino)benzonitrile
CID 43194445
N-(oxan-3-ylmethyl)-2-(pyrazol-1-ylmethyl)aniline
CID 63740904
N-heptyl-3-(pyrazol-1-ylmethyl)aniline
CID 43738861
N-[3-(pyrazol-1-ylmethyl)phenyl]morpholine-4-carboxamide
CID 34688755
N-[(5-methylthiophen-2-yl)methyl]-3-(pyrazol-1-ylmethyl)aniline
CID 43738809
3-[(3S)-oxolan-3-yl]-5-[3-(pyrazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole
CID 97438197

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-3-ylmethyl)-3-(pyrazol-1-ylmethyl)aniline?
The IUPAC name of N-(oxolan-3-ylmethyl)-3-(pyrazol-1-ylmethyl)aniline (CID 43738881) is N-(oxolan-3-ylmethyl)-3-(pyrazol-1-ylmethyl)aniline.
What is the SMILES notation for N-(oxolan-3-ylmethyl)-3-(pyrazol-1-ylmethyl)aniline?
The canonical SMILES for N-(oxolan-3-ylmethyl)-3-(pyrazol-1-ylmethyl)aniline is c1cc(Cn2cccn2)cc(NCC2CCOC2)c1.
What is the InChIKey of N-(oxolan-3-ylmethyl)-3-(pyrazol-1-ylmethyl)aniline?
The InChIKey is MUIFCONMGLYWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-3-13(11-18-7-2-6-17-18)9-15(4-1)16-10-14-5-8-19-12-14/h1-4,6-7,9,14,16H,5,8,10-12H2.
What are the key properties of N-(oxolan-3-ylmethyl)-3-(pyrazol-1-ylmethyl)aniline?
N-(oxolan-3-ylmethyl)-3-(pyrazol-1-ylmethyl)aniline has a molecular weight of 257.34 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-3-ylmethyl)-3-(pyrazol-1-ylmethyl)aniline is sourced from PubChem (CID 43738881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).