4-N-methyl-4-N-(thiophen-2-ylmethyl)-1H-pyrazole-4,5-diamine

C9H12N4S — CID 82236281

IUPAC4-N-methyl-4-N-(thiophen-2-ylmethyl)-1H-pyrazole-4,5-diamine
SMILESCN(Cc1cccs1)c1cn[nH]c1N
InChIInChI=1S/C9H12N4S/c1-13(6-7-3-2-4-14-7)8-5-11-12-9(8)10/h2-5H,6H2,1H3,(H3,10,11,12)
InChIKeySDDXHPLZDUXPHI-UHFFFAOYSA-N
MW208.29 g/mol
LogP1.69
Rot. Bonds3

About 4-N-methyl-4-N-(thiophen-2-ylmethyl)-1H-pyrazole-4,5-diamine

4-N-methyl-4-N-(thiophen-2-ylmethyl)-1H-pyrazole-4,5-diamine (PubChem CID 82236281) has the molecular formula C9H12N4S and a molecular weight of 208.29 g/mol. Its IUPAC name is 4-N-methyl-4-N-(thiophen-2-ylmethyl)-1H-pyrazole-4,5-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-(thiophen-2-ylmethyl)-1H-pyrazole-4,5-diamine
PubChem CID82236281
Molecular FormulaC9H12N4S
Molecular Weight208.29 g/mol
Exact Mass208.08
IUPAC Name4-N-methyl-4-N-(thiophen-2-ylmethyl)-1H-pyrazole-4,5-diamine
SMILESCN(Cc1cccs1)c1cn[nH]c1N
InChIInChI=1S/C9H12N4S/c1-13(6-7-3-2-4-14-7)8-5-11-12-9(8)10/h2-5H,6H2,1H3,(H3,10,11,12)
InChIKeySDDXHPLZDUXPHI-UHFFFAOYSA-N
XLogP1.69
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(furan-3-ylmethyl)-4-N-methyl-1H-pyrazole-4,5-diamine
CID 82236923
5-amino-N-methyl-N-(2-thiophen-2-ylethyl)-1H-pyrazole-4-carboxamide
CID 79487631
5-N-methyl-5-N-(thiophen-2-ylmethyl)pyridine-2,5-diamine
CID 43527362
2-(aminomethyl)-N-methyl-N-(thiophen-2-ylmethyl)aniline
CID 43527788
2-iodo-1-N-methyl-1-N-(thiophen-2-ylmethyl)benzene-1,4-diamine
CID 66092918
4-(aminomethyl)-N-methyl-2-propan-2-yl-N-(thiophen-2-ylmethyl)pyrimidin-5-amine
CID 62299111
2-N-methyl-2-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 116796444
2-chloro-4-N,5-dimethyl-4-N-(thiophen-2-ylmethyl)benzene-1,4-diamine
CID 113334196
[3-[methyl(thiophen-2-ylmethyl)amino]-4-pyridinyl]methanol
CID 105066711
7-amino-6-[methyl(thiophen-2-ylmethyl)amino]-4H-1,4-benzoxazin-3-one
CID 43527335
5-chloro-4-N-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 80781687
1-N-methyl-1-N-(thiophen-2-ylmethyl)-4-(trifluoromethyl)benzene-1,2-diamine
CID 43527368

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-(thiophen-2-ylmethyl)-1H-pyrazole-4,5-diamine?
The IUPAC name of 4-N-methyl-4-N-(thiophen-2-ylmethyl)-1H-pyrazole-4,5-diamine (CID 82236281) is 4-N-methyl-4-N-(thiophen-2-ylmethyl)-1H-pyrazole-4,5-diamine.
What is the SMILES notation for 4-N-methyl-4-N-(thiophen-2-ylmethyl)-1H-pyrazole-4,5-diamine?
The canonical SMILES for 4-N-methyl-4-N-(thiophen-2-ylmethyl)-1H-pyrazole-4,5-diamine is CN(Cc1cccs1)c1cn[nH]c1N.
What is the InChIKey of 4-N-methyl-4-N-(thiophen-2-ylmethyl)-1H-pyrazole-4,5-diamine?
The InChIKey is SDDXHPLZDUXPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4S/c1-13(6-7-3-2-4-14-7)8-5-11-12-9(8)10/h2-5H,6H2,1H3,(H3,10,11,12).
What are the key properties of 4-N-methyl-4-N-(thiophen-2-ylmethyl)-1H-pyrazole-4,5-diamine?
4-N-methyl-4-N-(thiophen-2-ylmethyl)-1H-pyrazole-4,5-diamine has a molecular weight of 208.29 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-(thiophen-2-ylmethyl)-1H-pyrazole-4,5-diamine is sourced from PubChem (CID 82236281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).