2-(1-methylpyrazol-4-yl)oxy-N-(thiophen-2-ylmethyl)propan-1-amine

C12H17N3OS — CID 116793711

IUPAC2-(1-methylpyrazol-4-yl)oxy-N-(thiophen-2-ylmethyl)propan-1-amine
SMILESCC(CNCc1cccs1)Oc1cnn(C)c1
InChIInChI=1S/C12H17N3OS/c1-10(16-11-7-14-15(2)9-11)6-13-8-12-4-3-5-17-12/h3-5,7,9-10,13H,6,8H2,1-2H3
InChIKeyHOTPSFGOLHFWKP-UHFFFAOYSA-N
MW251.36 g/mol
LogP2.04
Rot. Bonds6

About 2-(1-methylpyrazol-4-yl)oxy-N-(thiophen-2-ylmethyl)propan-1-amine

2-(1-methylpyrazol-4-yl)oxy-N-(thiophen-2-ylmethyl)propan-1-amine (PubChem CID 116793711) has the molecular formula C12H17N3OS and a molecular weight of 251.36 g/mol. Its IUPAC name is 2-(1-methylpyrazol-4-yl)oxy-N-(thiophen-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name2-(1-methylpyrazol-4-yl)oxy-N-(thiophen-2-ylmethyl)propan-1-amine
PubChem CID116793711
Molecular FormulaC12H17N3OS
Molecular Weight251.36 g/mol
Exact Mass251.11
IUPAC Name2-(1-methylpyrazol-4-yl)oxy-N-(thiophen-2-ylmethyl)propan-1-amine
SMILESCC(CNCc1cccs1)Oc1cnn(C)c1
InChIInChI=1S/C12H17N3OS/c1-10(16-11-7-14-15(2)9-11)6-13-8-12-4-3-5-17-12/h3-5,7,9-10,13H,6,8H2,1-2H3
InChIKeyHOTPSFGOLHFWKP-UHFFFAOYSA-N
XLogP2.04
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.36
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(1-methylpyrazol-4-yl)oxy-N-(thiophen-2-ylmethyl)propan-1-amine 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

2-(4-bromophenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 55088459
2-(1-methylpyrazol-4-yl)sulfanyl-N-(thiophen-2-ylmethyl)propan-1-amine
CID 62582122
N-(2-methoxyethyl)-2-(1-methylpyrazol-4-yl)oxypropan-1-amine
CID 116793712
N-[(1-methylpyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine;hydrochloride
CID 126966027
2-(2-propan-2-ylphenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 62572170
2-(4-bromo-3-methylphenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 83141001
2-(2,6-dimethylphenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 54798902
2-(2-methylpropoxy)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 62567464
2-butoxy-N-(thiophen-2-ylmethyl)propan-1-amine
CID 62585075
2-(2,3-difluorophenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 63038033
2-(2,4-dichlorophenoxy)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 54798982
1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 61150337

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-4-yl)oxy-N-(thiophen-2-ylmethyl)propan-1-amine?
The IUPAC name of 2-(1-methylpyrazol-4-yl)oxy-N-(thiophen-2-ylmethyl)propan-1-amine (CID 116793711) is 2-(1-methylpyrazol-4-yl)oxy-N-(thiophen-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 2-(1-methylpyrazol-4-yl)oxy-N-(thiophen-2-ylmethyl)propan-1-amine?
The canonical SMILES for 2-(1-methylpyrazol-4-yl)oxy-N-(thiophen-2-ylmethyl)propan-1-amine is CC(CNCc1cccs1)Oc1cnn(C)c1.
What is the InChIKey of 2-(1-methylpyrazol-4-yl)oxy-N-(thiophen-2-ylmethyl)propan-1-amine?
The InChIKey is HOTPSFGOLHFWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS/c1-10(16-11-7-14-15(2)9-11)6-13-8-12-4-3-5-17-12/h3-5,7,9-10,13H,6,8H2,1-2H3.
What are the key properties of 2-(1-methylpyrazol-4-yl)oxy-N-(thiophen-2-ylmethyl)propan-1-amine?
2-(1-methylpyrazol-4-yl)oxy-N-(thiophen-2-ylmethyl)propan-1-amine has a molecular weight of 251.36 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-4-yl)oxy-N-(thiophen-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 116793711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).