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

C19H30N4S — CID 16677908

IUPACN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(1-ethylpyrrolidin-2-yl)-N-(thiophen-2-ylmethyl)methanamine
SMILESCCN1CCCC1CN(Cc1cccs1)Cc1cn(CC)nc1C
InChIInChI=1S/C19H30N4S/c1-4-22-10-6-8-18(22)14-21(15-19-9-7-11-24-19)12-17-13-23(5-2)20-16(17)3/h7,9,11,13,18H,4-6,8,10,12,14-15H2,1-3H3
InChIKeyNDUYZOXIUSOOFZ-UHFFFAOYSA-N
MW346.54 g/mol
LogP3.76
Rot. Bonds8

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

N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(1-ethylpyrrolidin-2-yl)-N-(thiophen-2-ylmethyl)methanamine (PubChem CID 16677908) has the molecular formula C19H30N4S and a molecular weight of 346.54 g/mol. Its IUPAC name is N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(1-ethylpyrrolidin-2-yl)-N-(thiophen-2-ylmethyl)methanamine.

Molecular Properties

Compound NameN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(1-ethylpyrrolidin-2-yl)-N-(thiophen-2-ylmethyl)methanamine
PubChem CID16677908
Molecular FormulaC19H30N4S
Molecular Weight346.54 g/mol
Exact Mass346.22
IUPAC NameN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(1-ethylpyrrolidin-2-yl)-N-(thiophen-2-ylmethyl)methanamine
SMILESCCN1CCCC1CN(Cc1cccs1)Cc1cn(CC)nc1C
InChIInChI=1S/C19H30N4S/c1-4-22-10-6-8-18(22)14-21(15-19-9-7-11-24-19)12-17-13-23(5-2)20-16(17)3/h7,9,11,13,18H,4-6,8,10,12,14-15H2,1-3H3
InChIKeyNDUYZOXIUSOOFZ-UHFFFAOYSA-N
XLogP3.76
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.54
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(1-ethylpyrrolidin-2-yl)-N-(thiophen-2-ylmethyl)methanamine?
The IUPAC name of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(1-ethylpyrrolidin-2-yl)-N-(thiophen-2-ylmethyl)methanamine (CID 16677908) is N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(1-ethylpyrrolidin-2-yl)-N-(thiophen-2-ylmethyl)methanamine.
What is the SMILES notation for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(1-ethylpyrrolidin-2-yl)-N-(thiophen-2-ylmethyl)methanamine?
The canonical SMILES for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(1-ethylpyrrolidin-2-yl)-N-(thiophen-2-ylmethyl)methanamine is CCN1CCCC1CN(Cc1cccs1)Cc1cn(CC)nc1C.
What is the InChIKey of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(1-ethylpyrrolidin-2-yl)-N-(thiophen-2-ylmethyl)methanamine?
The InChIKey is NDUYZOXIUSOOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4S/c1-4-22-10-6-8-18(22)14-21(15-19-9-7-11-24-19)12-17-13-23(5-2)20-16(17)3/h7,9,11,13,18H,4-6,8,10,12,14-15H2,1-3H3.
What are the key properties of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(1-ethylpyrrolidin-2-yl)-N-(thiophen-2-ylmethyl)methanamine?
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(1-ethylpyrrolidin-2-yl)-N-(thiophen-2-ylmethyl)methanamine has a molecular weight of 346.54 g/mol, XLogP of 3.76, 8 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]-1-(1-ethylpyrrolidin-2-yl)-N-(thiophen-2-ylmethyl)methanamine is sourced from PubChem (CID 16677908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).