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

C18H28N4S — CID 122131133

IUPACN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methyl-1-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methanamine
SMILESCCn1cc(CN(C)Cc2ccc(CN3CCCC3)s2)c(C)n1
InChIInChI=1S/C18H28N4S/c1-4-22-12-16(15(2)19-22)11-20(3)13-17-7-8-18(23-17)14-21-9-5-6-10-21/h7-8,12H,4-6,9-11,13-14H2,1-3H3
InChIKeyGCDGCODLYOWGFO-UHFFFAOYSA-N
MW332.52 g/mol
LogP3.50
Rot. Bonds7

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

N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methyl-1-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methanamine (PubChem CID 122131133) has the molecular formula C18H28N4S and a molecular weight of 332.52 g/mol. Its IUPAC name is N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methyl-1-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methanamine.

Molecular Properties

Compound NameN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methyl-1-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methanamine
PubChem CID122131133
Molecular FormulaC18H28N4S
Molecular Weight332.52 g/mol
Exact Mass332.20
IUPAC NameN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methyl-1-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methanamine
SMILESCCn1cc(CN(C)Cc2ccc(CN3CCCC3)s2)c(C)n1
InChIInChI=1S/C18H28N4S/c1-4-22-12-16(15(2)19-22)11-20(3)13-17-7-8-18(23-17)14-21-9-5-6-10-21/h7-8,12H,4-6,9-11,13-14H2,1-3H3
InChIKeyGCDGCODLYOWGFO-UHFFFAOYSA-N
XLogP3.50
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.52
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methyl-1-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methanamine 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 N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methyl-1-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methanamine?
The IUPAC name of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methyl-1-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methanamine (CID 122131133) is N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methyl-1-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methanamine.
What is the SMILES notation for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methyl-1-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methanamine?
The canonical SMILES for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methyl-1-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methanamine is CCn1cc(CN(C)Cc2ccc(CN3CCCC3)s2)c(C)n1.
What is the InChIKey of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methyl-1-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methanamine?
The InChIKey is GCDGCODLYOWGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4S/c1-4-22-12-16(15(2)19-22)11-20(3)13-17-7-8-18(23-17)14-21-9-5-6-10-21/h7-8,12H,4-6,9-11,13-14H2,1-3H3.
What are the key properties of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methyl-1-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methanamine?
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methyl-1-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methanamine has a molecular weight of 332.52 g/mol, XLogP of 3.50, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methyl-1-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methanamine is sourced from PubChem (CID 122131133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).