3-N-benzyl-3-N,1-dimethylpyrazole-3,4-diamine

C12H16N4 — CID 103077806

IUPAC3-N-benzyl-3-N,1-dimethylpyrazole-3,4-diamine
SMILESCN(Cc1ccccc1)c1nn(C)cc1N
InChIInChI=1S/C12H16N4/c1-15(8-10-6-4-3-5-7-10)12-11(13)9-16(2)14-12/h3-7,9H,8,13H2,1-2H3
InChIKeyNTCWHFLPESCEQD-UHFFFAOYSA-N
MW216.29 g/mol
LogP1.64
Rot. Bonds3

About 3-N-benzyl-3-N,1-dimethylpyrazole-3,4-diamine

3-N-benzyl-3-N,1-dimethylpyrazole-3,4-diamine (PubChem CID 103077806) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 3-N-benzyl-3-N,1-dimethylpyrazole-3,4-diamine.

Molecular Properties

Compound Name3-N-benzyl-3-N,1-dimethylpyrazole-3,4-diamine
PubChem CID103077806
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name3-N-benzyl-3-N,1-dimethylpyrazole-3,4-diamine
SMILESCN(Cc1ccccc1)c1nn(C)cc1N
InChIInChI=1S/C12H16N4/c1-15(8-10-6-4-3-5-7-10)12-11(13)9-16(2)14-12/h3-7,9H,8,13H2,1-2H3
InChIKeyNTCWHFLPESCEQD-UHFFFAOYSA-N
XLogP1.64
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-benzyl-6-chloro-2-N-methylpyridine-2,3-diamine
CID 115473524
2-N-benzyl-2-N,6-dimethylpyridine-2,3-diamine
CID 79020868
3-N,1-dimethyl-3-N-(2-methylsulfonylethyl)pyrazole-3,4-diamine
CID 103078693
3-N,1-dimethyl-3-N-(2-methylbutan-2-yl)pyrazole-3,4-diamine
CID 103078545
5-amino-6-[benzyl(methyl)amino]pyridine-2-carboxamide
CID 114405125
4-N-benzyl-4-N,5-dimethyl-2-propylpyrimidine-4,6-diamine
CID 80977163
2-N-benzyl-3-chloro-2-N-methylpyridine-2,5-diamine
CID 82480063
aniline;N-benzyl-N-methylaniline
CID 163577424
3-N-[1-(dimethylamino)propan-2-yl]-3-N-ethyl-1-methylpyrazole-3,4-diamine
CID 103187585
3-[(4-amino-1-methylpyrazol-3-yl)-(pyridin-3-ylmethyl)amino]propanenitrile
CID 103077826
N-benzyl-N,3-dimethylpyrazin-2-amine;ethane
CID 145242073
3-(dimethylamino)-1-methyl-N-(2-phenylethyl)pyrazole-4-carboxamide
CID 54213581

Frequently Asked Questions

What is the IUPAC name of 3-N-benzyl-3-N,1-dimethylpyrazole-3,4-diamine?
The IUPAC name of 3-N-benzyl-3-N,1-dimethylpyrazole-3,4-diamine (CID 103077806) is 3-N-benzyl-3-N,1-dimethylpyrazole-3,4-diamine.
What is the SMILES notation for 3-N-benzyl-3-N,1-dimethylpyrazole-3,4-diamine?
The canonical SMILES for 3-N-benzyl-3-N,1-dimethylpyrazole-3,4-diamine is CN(Cc1ccccc1)c1nn(C)cc1N.
What is the InChIKey of 3-N-benzyl-3-N,1-dimethylpyrazole-3,4-diamine?
The InChIKey is NTCWHFLPESCEQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-15(8-10-6-4-3-5-7-10)12-11(13)9-16(2)14-12/h3-7,9H,8,13H2,1-2H3.
What are the key properties of 3-N-benzyl-3-N,1-dimethylpyrazole-3,4-diamine?
3-N-benzyl-3-N,1-dimethylpyrazole-3,4-diamine has a molecular weight of 216.29 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-benzyl-3-N,1-dimethylpyrazole-3,4-diamine is sourced from PubChem (CID 103077806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).