N-[[5-[(1-methylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]cyclopropanamine

C13H17N3OS — CID 107559281

IUPACN-[[5-[(1-methylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]cyclopropanamine
SMILESCn1cc(OCc2ccc(CNC3CC3)s2)cn1
InChIInChI=1S/C13H17N3OS/c1-16-8-11(6-15-16)17-9-13-5-4-12(18-13)7-14-10-2-3-10/h4-6,8,10,14H,2-3,7,9H2,1H3
InChIKeyAVGOOSUFIRCIFT-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.31
Rot. Bonds6

About N-[[5-[(1-methylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]cyclopropanamine

N-[[5-[(1-methylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]cyclopropanamine (PubChem CID 107559281) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is N-[[5-[(1-methylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-[(1-methylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]cyclopropanamine
PubChem CID107559281
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC NameN-[[5-[(1-methylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]cyclopropanamine
SMILESCn1cc(OCc2ccc(CNC3CC3)s2)cn1
InChIInChI=1S/C13H17N3OS/c1-16-8-11(6-15-16)17-9-13-5-4-12(18-13)7-14-10-2-3-10/h4-6,8,10,14H,2-3,7,9H2,1H3
InChIKeyAVGOOSUFIRCIFT-UHFFFAOYSA-N
XLogP2.31
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[(1-methylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-[(1-methylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]cyclopropanamine (CID 107559281) is N-[[5-[(1-methylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-[(1-methylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-[(1-methylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]cyclopropanamine is Cn1cc(OCc2ccc(CNC3CC3)s2)cn1.
What is the InChIKey of N-[[5-[(1-methylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]cyclopropanamine?
The InChIKey is AVGOOSUFIRCIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-16-8-11(6-15-16)17-9-13-5-4-12(18-13)7-14-10-2-3-10/h4-6,8,10,14H,2-3,7,9H2,1H3.
What are the key properties of N-[[5-[(1-methylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]cyclopropanamine?
N-[[5-[(1-methylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]cyclopropanamine has a molecular weight of 263.37 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(1-methylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 107559281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).