N'-[(1,5-dimethylpyrazol-4-yl)methyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine

C14H22N4S — CID 79578963

IUPACN'-[(1,5-dimethylpyrazol-4-yl)methyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine
SMILESCc1c(CNCC(c2cccs2)N(C)C)cnn1C
InChIInChI=1S/C14H22N4S/c1-11-12(9-16-18(11)4)8-15-10-13(17(2)3)14-6-5-7-19-14/h5-7,9,13,15H,8,10H2,1-4H3
InChIKeyPUFLXNNNJLLKMJ-UHFFFAOYSA-N
MW278.43 g/mol
LogP2.18
Rot. Bonds6

About N'-[(1,5-dimethylpyrazol-4-yl)methyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine

N'-[(1,5-dimethylpyrazol-4-yl)methyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine (PubChem CID 79578963) has the molecular formula C14H22N4S and a molecular weight of 278.43 g/mol. Its IUPAC name is N'-[(1,5-dimethylpyrazol-4-yl)methyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(1,5-dimethylpyrazol-4-yl)methyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine
PubChem CID79578963
Molecular FormulaC14H22N4S
Molecular Weight278.43 g/mol
Exact Mass278.16
IUPAC NameN'-[(1,5-dimethylpyrazol-4-yl)methyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine
SMILESCc1c(CNCC(c2cccs2)N(C)C)cnn1C
InChIInChI=1S/C14H22N4S/c1-11-12(9-16-18(11)4)8-15-10-13(17(2)3)14-6-5-7-19-14/h5-7,9,13,15H,8,10H2,1-4H3
InChIKeyPUFLXNNNJLLKMJ-UHFFFAOYSA-N
XLogP2.18
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.43
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-thiophen-2-ylethanamine
CID 81398244
(1S)-N'-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine
CID 94823154
N,N-dimethyl-N'-(1,3-thiazol-5-ylmethyl)-1-thiophen-2-ylethane-1,2-diamine
CID 62760162
N'-[(4-fluoro-2-methylphenyl)methyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine
CID 62134219
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
CID 80526354
(1S)-N,N-dimethyl-1-thiophen-2-yl-N'-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine
CID 94514889
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpropan-1-amine;hydrochloride
CID 126964678
N,N-dimethyl-N'-(1,3-thiazol-2-ylmethyl)-1-thiophen-2-ylethane-1,2-diamine
CID 55208645
N'-[(2,4-difluorophenyl)methyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine
CID 43182595
(1S)-N'-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine
CID 9453083
N,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]-1-thiophen-2-ylethane-1,2-diamine
CID 43182619
N'-(1-benzofuran-3-ylmethyl)-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine
CID 80701630

Frequently Asked Questions

What is the IUPAC name of N'-[(1,5-dimethylpyrazol-4-yl)methyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine?
The IUPAC name of N'-[(1,5-dimethylpyrazol-4-yl)methyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine (CID 79578963) is N'-[(1,5-dimethylpyrazol-4-yl)methyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine.
What is the SMILES notation for N'-[(1,5-dimethylpyrazol-4-yl)methyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine?
The canonical SMILES for N'-[(1,5-dimethylpyrazol-4-yl)methyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine is Cc1c(CNCC(c2cccs2)N(C)C)cnn1C.
What is the InChIKey of N'-[(1,5-dimethylpyrazol-4-yl)methyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine?
The InChIKey is PUFLXNNNJLLKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4S/c1-11-12(9-16-18(11)4)8-15-10-13(17(2)3)14-6-5-7-19-14/h5-7,9,13,15H,8,10H2,1-4H3.
What are the key properties of N'-[(1,5-dimethylpyrazol-4-yl)methyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine?
N'-[(1,5-dimethylpyrazol-4-yl)methyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine has a molecular weight of 278.43 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1,5-dimethylpyrazol-4-yl)methyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine is sourced from PubChem (CID 79578963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).