1-(4-methoxyphenyl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]cyclopropan-1-amine

C18H19N3OS — CID 16676350

IUPAC1-(4-methoxyphenyl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]cyclopropan-1-amine
SMILESCOc1ccc(C2(NCc3cn[nH]c3-c3cccs3)CC2)cc1
InChIInChI=1S/C18H19N3OS/c1-22-15-6-4-14(5-7-15)18(8-9-18)19-11-13-12-20-21-17(13)16-3-2-10-23-16/h2-7,10,12,19H,8-9,11H2,1H3,(H,20,21)
InChIKeyCXRMCTBDMZVPNE-UHFFFAOYSA-N
MW325.44 g/mol
LogP3.93
Rot. Bonds6

About 1-(4-methoxyphenyl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]cyclopropan-1-amine

1-(4-methoxyphenyl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]cyclopropan-1-amine (PubChem CID 16676350) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]cyclopropan-1-amine
PubChem CID16676350
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC Name1-(4-methoxyphenyl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]cyclopropan-1-amine
SMILESCOc1ccc(C2(NCc3cn[nH]c3-c3cccs3)CC2)cc1
InChIInChI=1S/C18H19N3OS/c1-22-15-6-4-14(5-7-15)18(8-9-18)19-11-13-12-20-21-17(13)16-3-2-10-23-16/h2-7,10,12,19H,8-9,11H2,1H3,(H,20,21)
InChIKeyCXRMCTBDMZVPNE-UHFFFAOYSA-N
XLogP3.93
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(4-methoxyphenyl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]cyclopropan-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

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]cyclopropan-1-amine?
The IUPAC name of 1-(4-methoxyphenyl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]cyclopropan-1-amine (CID 16676350) is 1-(4-methoxyphenyl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]cyclopropan-1-amine?
The canonical SMILES for 1-(4-methoxyphenyl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]cyclopropan-1-amine is COc1ccc(C2(NCc3cn[nH]c3-c3cccs3)CC2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]cyclopropan-1-amine?
The InChIKey is CXRMCTBDMZVPNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3OS/c1-22-15-6-4-14(5-7-15)18(8-9-18)19-11-13-12-20-21-17(13)16-3-2-10-23-16/h2-7,10,12,19H,8-9,11H2,1H3,(H,20,21).
What are the key properties of 1-(4-methoxyphenyl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]cyclopropan-1-amine?
1-(4-methoxyphenyl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]cyclopropan-1-amine has a molecular weight of 325.44 g/mol, XLogP of 3.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]cyclopropan-1-amine is sourced from PubChem (CID 16676350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).