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

C19H24N4S2 — CID 131945600

IUPACN-methyl-N-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]-1-(3-thiophen-2-yl-1H-pyrazol-5-yl)methanamine
SMILESCN(Cc1cc(-c2cccs2)n[nH]1)Cc1cc(CN2CCCC2)cs1
InChIInChI=1S/C19H24N4S2/c1-22(12-16-10-18(21-20-16)19-5-4-8-24-19)13-17-9-15(14-25-17)11-23-6-2-3-7-23/h4-5,8-10,14H,2-3,6-7,11-13H2,1H3,(H,20,21)
InChIKeyHNIWBZNGYHZEFX-UHFFFAOYSA-N
MW372.56 g/mol
LogP4.43
Rot. Bonds7

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

N-methyl-N-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]-1-(3-thiophen-2-yl-1H-pyrazol-5-yl)methanamine (PubChem CID 131945600) has the molecular formula C19H24N4S2 and a molecular weight of 372.56 g/mol. Its IUPAC name is N-methyl-N-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]-1-(3-thiophen-2-yl-1H-pyrazol-5-yl)methanamine.

Molecular Properties

Compound NameN-methyl-N-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]-1-(3-thiophen-2-yl-1H-pyrazol-5-yl)methanamine
PubChem CID131945600
Molecular FormulaC19H24N4S2
Molecular Weight372.56 g/mol
Exact Mass372.14
IUPAC NameN-methyl-N-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]-1-(3-thiophen-2-yl-1H-pyrazol-5-yl)methanamine
SMILESCN(Cc1cc(-c2cccs2)n[nH]1)Cc1cc(CN2CCCC2)cs1
InChIInChI=1S/C19H24N4S2/c1-22(12-16-10-18(21-20-16)19-5-4-8-24-19)13-17-9-15(14-25-17)11-23-6-2-3-7-23/h4-5,8-10,14H,2-3,6-7,11-13H2,1H3,(H,20,21)
InChIKeyHNIWBZNGYHZEFX-UHFFFAOYSA-N
XLogP4.43
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.56
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-[[[(3R)-1-benzylpyrrolidin-3-yl]-methylsulfamoyl]amino]ethyl]-3-phenyl-5-thiophen-2-yl-1H-pyrazole
CID 11466561
4-[2-[[[(3R)-1-benzylpyrrolidin-3-yl]-methylsulfamoyl]amino]ethyl]-3,5-dithiophen-2-yl-1H-pyrazole
CID 56673575
1-(4-methylbenzyl)-4-[5-(2-thienyl)-1H-pyrazol-3-yl]piperidine
CID 1488673
1-Phenethyl-4-(5-thiophen-2-yl-1H-pyrazol-3-yl)-piperidine
CID 10497179
4-[(E)-(3-methylthiophen-2-yl)methylideneamino]-3-(3-phenyl-1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione
CID 6860289
1-[(3-methylthiophen-2-yl)methyl]-4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidine
CID 56714764
6-[(5-Methylthiophen-2-yl)methyl]-3-(pyrrolidin-1-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine
CID 97404941
N-methyl-1-[(1S,9aR)-octahydro-2H-quinolizin-1-yl]-N-{[3-(2-thienyl)-1H-pyrazol-5-yl]methyl}methanamine
CID 56894182
4-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]thiomorpholine
CID 53193275
2-(methyl{[3-(2-thienyl)-1H-pyrazol-5-yl]methyl}amino)-1-(1-pyrrolidinyl)-1-ethanone
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4-[(3-methyl-2-thiophenyl)methylideneamino]-3-(3-phenyl-1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione
CID 1390688
N-methyl-2-(1-methyl-1H-pyrazol-4-yl)-N-{[5-(1H-pyrazol-3-yl)-2-thienyl]methyl}ethanamine
CID 77088431

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]-1-(3-thiophen-2-yl-1H-pyrazol-5-yl)methanamine?
The IUPAC name of N-methyl-N-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]-1-(3-thiophen-2-yl-1H-pyrazol-5-yl)methanamine (CID 131945600) is N-methyl-N-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]-1-(3-thiophen-2-yl-1H-pyrazol-5-yl)methanamine.
What is the SMILES notation for N-methyl-N-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]-1-(3-thiophen-2-yl-1H-pyrazol-5-yl)methanamine?
The canonical SMILES for N-methyl-N-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]-1-(3-thiophen-2-yl-1H-pyrazol-5-yl)methanamine is CN(Cc1cc(-c2cccs2)n[nH]1)Cc1cc(CN2CCCC2)cs1.
What is the InChIKey of N-methyl-N-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]-1-(3-thiophen-2-yl-1H-pyrazol-5-yl)methanamine?
The InChIKey is HNIWBZNGYHZEFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4S2/c1-22(12-16-10-18(21-20-16)19-5-4-8-24-19)13-17-9-15(14-25-17)11-23-6-2-3-7-23/h4-5,8-10,14H,2-3,6-7,11-13H2,1H3,(H,20,21).
What are the key properties of N-methyl-N-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]-1-(3-thiophen-2-yl-1H-pyrazol-5-yl)methanamine?
N-methyl-N-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]-1-(3-thiophen-2-yl-1H-pyrazol-5-yl)methanamine has a molecular weight of 372.56 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]-1-(3-thiophen-2-yl-1H-pyrazol-5-yl)methanamine is sourced from PubChem (CID 131945600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).