N-[[5-(3-ethyl-1-methylpyrazol-4-yl)thiophen-2-yl]methyl]cyclopropanamine

C14H19N3S — CID 107464336

IUPACN-[[5-(3-ethyl-1-methylpyrazol-4-yl)thiophen-2-yl]methyl]cyclopropanamine
SMILESCCc1nn(C)cc1-c1ccc(CNC2CC2)s1
InChIInChI=1S/C14H19N3S/c1-3-13-12(9-17(2)16-13)14-7-6-11(18-14)8-15-10-4-5-10/h6-7,9-10,15H,3-5,8H2,1-2H3
InChIKeyKTTIGDIPXGCZFB-UHFFFAOYSA-N
MW261.39 g/mol
LogP2.96
Rot. Bonds5

About N-[[5-(3-ethyl-1-methylpyrazol-4-yl)thiophen-2-yl]methyl]cyclopropanamine

N-[[5-(3-ethyl-1-methylpyrazol-4-yl)thiophen-2-yl]methyl]cyclopropanamine (PubChem CID 107464336) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is N-[[5-(3-ethyl-1-methylpyrazol-4-yl)thiophen-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(3-ethyl-1-methylpyrazol-4-yl)thiophen-2-yl]methyl]cyclopropanamine
PubChem CID107464336
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC NameN-[[5-(3-ethyl-1-methylpyrazol-4-yl)thiophen-2-yl]methyl]cyclopropanamine
SMILESCCc1nn(C)cc1-c1ccc(CNC2CC2)s1
InChIInChI=1S/C14H19N3S/c1-3-13-12(9-17(2)16-13)14-7-6-11(18-14)8-15-10-4-5-10/h6-7,9-10,15H,3-5,8H2,1-2H3
InChIKeyKTTIGDIPXGCZFB-UHFFFAOYSA-N
XLogP2.96
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-ethyl-1-methylpyrazol-4-yl)thiophen-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(3-ethyl-1-methylpyrazol-4-yl)thiophen-2-yl]methyl]cyclopropanamine (CID 107464336) is N-[[5-(3-ethyl-1-methylpyrazol-4-yl)thiophen-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(3-ethyl-1-methylpyrazol-4-yl)thiophen-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(3-ethyl-1-methylpyrazol-4-yl)thiophen-2-yl]methyl]cyclopropanamine is CCc1nn(C)cc1-c1ccc(CNC2CC2)s1.
What is the InChIKey of N-[[5-(3-ethyl-1-methylpyrazol-4-yl)thiophen-2-yl]methyl]cyclopropanamine?
The InChIKey is KTTIGDIPXGCZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-3-13-12(9-17(2)16-13)14-7-6-11(18-14)8-15-10-4-5-10/h6-7,9-10,15H,3-5,8H2,1-2H3.
What are the key properties of N-[[5-(3-ethyl-1-methylpyrazol-4-yl)thiophen-2-yl]methyl]cyclopropanamine?
N-[[5-(3-ethyl-1-methylpyrazol-4-yl)thiophen-2-yl]methyl]cyclopropanamine has a molecular weight of 261.39 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-ethyl-1-methylpyrazol-4-yl)thiophen-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 107464336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).