N-methyl-2-(1-methylpyrazol-4-yl)-N-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]ethanamine

C17H26N4S — CID 77092479

IUPACN-methyl-2-(1-methylpyrazol-4-yl)-N-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]ethanamine
SMILESCN(CCc1cnn(C)c1)Cc1cc(CN2CCCC2)cs1
InChIInChI=1S/C17H26N4S/c1-19(8-5-15-10-18-20(2)11-15)13-17-9-16(14-22-17)12-21-6-3-4-7-21/h9-11,14H,3-8,12-13H2,1-2H3
InChIKeySECFJJFEVRTTGZ-UHFFFAOYSA-N
MW318.49 g/mol
LogP2.75
Rot. Bonds7

About N-methyl-2-(1-methylpyrazol-4-yl)-N-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]ethanamine

N-methyl-2-(1-methylpyrazol-4-yl)-N-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]ethanamine (PubChem CID 77092479) has the molecular formula C17H26N4S and a molecular weight of 318.49 g/mol. Its IUPAC name is N-methyl-2-(1-methylpyrazol-4-yl)-N-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-(1-methylpyrazol-4-yl)-N-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]ethanamine
PubChem CID77092479
Molecular FormulaC17H26N4S
Molecular Weight318.49 g/mol
Exact Mass318.19
IUPAC NameN-methyl-2-(1-methylpyrazol-4-yl)-N-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]ethanamine
SMILESCN(CCc1cnn(C)c1)Cc1cc(CN2CCCC2)cs1
InChIInChI=1S/C17H26N4S/c1-19(8-5-15-10-18-20(2)11-15)13-17-9-16(14-22-17)12-21-6-3-4-7-21/h9-11,14H,3-8,12-13H2,1-2H3
InChIKeySECFJJFEVRTTGZ-UHFFFAOYSA-N
XLogP2.75
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.49
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-methyl-2-(1-methylpyrazol-4-yl)-N-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]ethanamine with MolForge

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Related Compounds

2-imidazol-1-yl-N-methyl-N-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]ethanamine
CID 77085871
N-methyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-1-[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methanamine
CID 131939626
4-[[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]methyl]benzoic acid
CID 103004734
1-methyl-4-[1-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-4-yl]piperidine
CID 56901814
(2S)-1-[2-methoxy-5-[[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]methyl]phenoxy]-3-piperidin-1-ylpropan-2-ol
CID 28698282
N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-4-piperidin-1-ylbutanamide
CID 72907985
3-(1-methylpyrazol-4-yl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]propanamide
CID 131933215
6-[[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 74243849
2-[4-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]ethanamine
CID 62127922
N,N-dimethyl-1-[1-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-4-yl]ethanamine
CID 70711258
N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-3-phenylpropan-1-amine
CID 77093539
N,N-dimethyl-1-[5-[[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]methyl]thiophen-3-yl]methanamine
CID 77092563

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(1-methylpyrazol-4-yl)-N-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]ethanamine?
The IUPAC name of N-methyl-2-(1-methylpyrazol-4-yl)-N-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]ethanamine (CID 77092479) is N-methyl-2-(1-methylpyrazol-4-yl)-N-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]ethanamine.
What is the SMILES notation for N-methyl-2-(1-methylpyrazol-4-yl)-N-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]ethanamine?
The canonical SMILES for N-methyl-2-(1-methylpyrazol-4-yl)-N-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]ethanamine is CN(CCc1cnn(C)c1)Cc1cc(CN2CCCC2)cs1.
What is the InChIKey of N-methyl-2-(1-methylpyrazol-4-yl)-N-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]ethanamine?
The InChIKey is SECFJJFEVRTTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4S/c1-19(8-5-15-10-18-20(2)11-15)13-17-9-16(14-22-17)12-21-6-3-4-7-21/h9-11,14H,3-8,12-13H2,1-2H3.
What are the key properties of N-methyl-2-(1-methylpyrazol-4-yl)-N-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]ethanamine?
N-methyl-2-(1-methylpyrazol-4-yl)-N-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]ethanamine has a molecular weight of 318.49 g/mol, XLogP of 2.75, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(1-methylpyrazol-4-yl)-N-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]ethanamine is sourced from PubChem (CID 77092479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).