N-[[5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]cyclopropanamine

C15H21N3OS — CID 107559044

IUPACN-[[5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]cyclopropanamine
SMILESCc1nn(C)c(C)c1OCc1ccc(CNC2CC2)s1
InChIInChI=1S/C15H21N3OS/c1-10-15(11(2)18(3)17-10)19-9-14-7-6-13(20-14)8-16-12-4-5-12/h6-7,12,16H,4-5,8-9H2,1-3H3
InChIKeyNTSLTUNCENUXHL-UHFFFAOYSA-N
MW291.42 g/mol
LogP2.93
Rot. Bonds6

About N-[[5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]cyclopropanamine

N-[[5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]cyclopropanamine (PubChem CID 107559044) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is N-[[5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]cyclopropanamine
PubChem CID107559044
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC NameN-[[5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]cyclopropanamine
SMILESCc1nn(C)c(C)c1OCc1ccc(CNC2CC2)s1
InChIInChI=1S/C15H21N3OS/c1-10-15(11(2)18(3)17-10)19-9-14-7-6-13(20-14)8-16-12-4-5-12/h6-7,12,16H,4-5,8-9H2,1-3H3
InChIKeyNTSLTUNCENUXHL-UHFFFAOYSA-N
XLogP2.93
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]cyclopropanamine (CID 107559044) is N-[[5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]cyclopropanamine is Cc1nn(C)c(C)c1OCc1ccc(CNC2CC2)s1.
What is the InChIKey of N-[[5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]cyclopropanamine?
The InChIKey is NTSLTUNCENUXHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-10-15(11(2)18(3)17-10)19-9-14-7-6-13(20-14)8-16-12-4-5-12/h6-7,12,16H,4-5,8-9H2,1-3H3.
What are the key properties of N-[[5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]cyclopropanamine?
N-[[5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]cyclopropanamine has a molecular weight of 291.42 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 107559044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).