N-[(5-methylthiophen-2-yl)methyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine

C14H19N3OS — CID 43745460

IUPACN-[(5-methylthiophen-2-yl)methyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine
SMILESCc1ccc(CNc2cnn(CC3CCCO3)c2)s1
InChIInChI=1S/C14H19N3OS/c1-11-4-5-14(19-11)8-15-12-7-16-17(9-12)10-13-3-2-6-18-13/h4-5,7,9,13,15H,2-3,6,8,10H2,1H3
InChIKeySSNHISFVTFPFAV-UHFFFAOYSA-N
MW277.39 g/mol
LogP3.04
Rot. Bonds5

About N-[(5-methylthiophen-2-yl)methyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine

N-[(5-methylthiophen-2-yl)methyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine (PubChem CID 43745460) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is N-[(5-methylthiophen-2-yl)methyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine.

Molecular Properties

Compound NameN-[(5-methylthiophen-2-yl)methyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine
PubChem CID43745460
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC NameN-[(5-methylthiophen-2-yl)methyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine
SMILESCc1ccc(CNc2cnn(CC3CCCO3)c2)s1
InChIInChI=1S/C14H19N3OS/c1-11-4-5-14(19-11)8-15-12-7-16-17(9-12)10-13-3-2-6-18-13/h4-5,7,9,13,15H,2-3,6,8,10H2,1H3
InChIKeySSNHISFVTFPFAV-UHFFFAOYSA-N
XLogP3.04
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(5-methylthiophen-2-yl)methyl]-1-(oxolan-2-ylmethyl)pyrazol-4-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 N-[(5-methylthiophen-2-yl)methyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine?
The IUPAC name of N-[(5-methylthiophen-2-yl)methyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine (CID 43745460) is N-[(5-methylthiophen-2-yl)methyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine.
What is the SMILES notation for N-[(5-methylthiophen-2-yl)methyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine?
The canonical SMILES for N-[(5-methylthiophen-2-yl)methyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine is Cc1ccc(CNc2cnn(CC3CCCO3)c2)s1.
What is the InChIKey of N-[(5-methylthiophen-2-yl)methyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine?
The InChIKey is SSNHISFVTFPFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-11-4-5-14(19-11)8-15-12-7-16-17(9-12)10-13-3-2-6-18-13/h4-5,7,9,13,15H,2-3,6,8,10H2,1H3.
What are the key properties of N-[(5-methylthiophen-2-yl)methyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine?
N-[(5-methylthiophen-2-yl)methyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine has a molecular weight of 277.39 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylthiophen-2-yl)methyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine is sourced from PubChem (CID 43745460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).