N'-[(1,3-dimethylpyrazol-4-yl)methyl]-N,N-dimethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine

C15H24N4S — CID 43818871

IUPACN'-[(1,3-dimethylpyrazol-4-yl)methyl]-N,N-dimethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
SMILESCc1nn(C)cc1CN(CCN(C)C)Cc1cccs1
InChIInChI=1S/C15H24N4S/c1-13-14(10-18(4)16-13)11-19(8-7-17(2)3)12-15-6-5-9-20-15/h5-6,9-10H,7-8,11-12H2,1-4H3
InChIKeyODTYQHMZIDQFIN-UHFFFAOYSA-N
MW292.45 g/mol
LogP2.35
Rot. Bonds7

About N'-[(1,3-dimethylpyrazol-4-yl)methyl]-N,N-dimethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine

N'-[(1,3-dimethylpyrazol-4-yl)methyl]-N,N-dimethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine (PubChem CID 43818871) has the molecular formula C15H24N4S and a molecular weight of 292.45 g/mol. Its IUPAC name is N'-[(1,3-dimethylpyrazol-4-yl)methyl]-N,N-dimethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(1,3-dimethylpyrazol-4-yl)methyl]-N,N-dimethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
PubChem CID43818871
Molecular FormulaC15H24N4S
Molecular Weight292.45 g/mol
Exact Mass292.17
IUPAC NameN'-[(1,3-dimethylpyrazol-4-yl)methyl]-N,N-dimethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
SMILESCc1nn(C)cc1CN(CCN(C)C)Cc1cccs1
InChIInChI=1S/C15H24N4S/c1-13-14(10-18(4)16-13)11-19(8-7-17(2)3)12-15-6-5-9-20-15/h5-6,9-10H,7-8,11-12H2,1-4H3
InChIKeyODTYQHMZIDQFIN-UHFFFAOYSA-N
XLogP2.35
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N'-[(1,3-dimethylpyrazol-4-yl)methyl]-N,N-dimethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine with MolForge

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Related Compounds

N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine;hydrochloride
CID 126967664
N'-[(3-ethylphenyl)methyl]-N,N-dimethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 70827126
2-[2-(dimethylamino)ethyl-(thiophen-2-ylmethyl)amino]acetic acid
CID 107425908
N'-decyl-N,N-dimethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 159085641
5-[[2-(dimethylamino)ethyl-(thiophen-2-ylmethyl)amino]methyl]-1,3-dimethylbenzimidazol-2-one
CID 43818893
1-(1,3-dimethylpyrazol-4-yl)-2-thiophen-2-ylethanone
CID 102802696
N'-[(3-methoxyphenyl)methyl]-N,N-dimethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 16673175
N,N-dimethyl-2-thiophen-2-ylethanamine;hydrochloride
CID 19760547
3-[2-cyanoethyl-[(1,3-dimethylpyrazol-4-yl)methyl]amino]propanenitrile
CID 86800290
N'-[(2,3-dimethylimidazol-4-yl)methyl]-N,N-dimethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 171700597
1-[4-[1-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]-2-phenylethyl]piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 45191528
methyl 5-[[2-(dimethylamino)ethyl-(thiophen-2-ylmethyl)amino]methyl]thiophene-3-carboxylate
CID 171442396

Frequently Asked Questions

What is the IUPAC name of N'-[(1,3-dimethylpyrazol-4-yl)methyl]-N,N-dimethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N'-[(1,3-dimethylpyrazol-4-yl)methyl]-N,N-dimethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine (CID 43818871) is N'-[(1,3-dimethylpyrazol-4-yl)methyl]-N,N-dimethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-[(1,3-dimethylpyrazol-4-yl)methyl]-N,N-dimethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N'-[(1,3-dimethylpyrazol-4-yl)methyl]-N,N-dimethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine is Cc1nn(C)cc1CN(CCN(C)C)Cc1cccs1.
What is the InChIKey of N'-[(1,3-dimethylpyrazol-4-yl)methyl]-N,N-dimethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is ODTYQHMZIDQFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4S/c1-13-14(10-18(4)16-13)11-19(8-7-17(2)3)12-15-6-5-9-20-15/h5-6,9-10H,7-8,11-12H2,1-4H3.
What are the key properties of N'-[(1,3-dimethylpyrazol-4-yl)methyl]-N,N-dimethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine?
N'-[(1,3-dimethylpyrazol-4-yl)methyl]-N,N-dimethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 292.45 g/mol, XLogP of 2.35, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1,3-dimethylpyrazol-4-yl)methyl]-N,N-dimethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 43818871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).