3-N-[1-(dimethylamino)-4-methylpentan-2-yl]-1-methylpyrazole-3,4-diamine

C12H25N5 — CID 103078240

IUPAC3-N-[1-(dimethylamino)-4-methylpentan-2-yl]-1-methylpyrazole-3,4-diamine
SMILESCC(C)CC(CN(C)C)Nc1nn(C)cc1N
InChIInChI=1S/C12H25N5/c1-9(2)6-10(7-16(3)4)14-12-11(13)8-17(5)15-12/h8-10H,6-7,13H2,1-5H3,(H,14,15)
InChIKeyKJUBBRWRNPMUDL-UHFFFAOYSA-N
MW239.37 g/mol
LogP1.39
Rot. Bonds6

About 3-N-[1-(dimethylamino)-4-methylpentan-2-yl]-1-methylpyrazole-3,4-diamine

3-N-[1-(dimethylamino)-4-methylpentan-2-yl]-1-methylpyrazole-3,4-diamine (PubChem CID 103078240) has the molecular formula C12H25N5 and a molecular weight of 239.37 g/mol. Its IUPAC name is 3-N-[1-(dimethylamino)-4-methylpentan-2-yl]-1-methylpyrazole-3,4-diamine.

Molecular Properties

Compound Name3-N-[1-(dimethylamino)-4-methylpentan-2-yl]-1-methylpyrazole-3,4-diamine
PubChem CID103078240
Molecular FormulaC12H25N5
Molecular Weight239.37 g/mol
Exact Mass239.21
IUPAC Name3-N-[1-(dimethylamino)-4-methylpentan-2-yl]-1-methylpyrazole-3,4-diamine
SMILESCC(C)CC(CN(C)C)Nc1nn(C)cc1N
InChIInChI=1S/C12H25N5/c1-9(2)6-10(7-16(3)4)14-12-11(13)8-17(5)15-12/h8-10H,6-7,13H2,1-5H3,(H,14,15)
InChIKeyKJUBBRWRNPMUDL-UHFFFAOYSA-N
XLogP1.39
TPSA59.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.37
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-2-N-[1-(dimethylamino)-4-methylpentan-2-yl]pyridine-2,3-diamine
CID 54963875
3,5-dichloro-6-N-[1-(dimethylamino)-4-methylpentan-2-yl]pyridine-2,6-diamine
CID 102757090
5-amino-6-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]pyridine-3-carboxylic acid
CID 81439016
3-N-[2-(dimethylamino)-2-methylpropyl]-1-methylpyrazole-3,4-diamine
CID 103078310
5-N-[1-(dimethylamino)-4-methylpentan-2-yl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
CID 66027569
3-N-(4-methoxybutan-2-yl)-1-methylpyrazole-3,4-diamine
CID 103078594
2-N-[1-(dimethylamino)-4-methylpentan-2-yl]-1,3,5-triazine-2,4-diamine
CID 112746105
3-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]pyrazine-2-carbonitrile
CID 62673246
3-N-(1-cyclobutylethyl)-1-methylpyrazole-3,4-diamine
CID 103078915
3-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-1-ethylpyrazin-2-one
CID 62940940
4-N-[1-(dimethylamino)-4-methylpentan-2-yl]-6-N,5-diethylpyrimidine-4,6-diamine
CID 80782621
6-bromo-2-N-[1-(dimethylamino)-4-methylpentan-2-yl]pyrimidine-2,4-diamine
CID 116795711

Frequently Asked Questions

What is the IUPAC name of 3-N-[1-(dimethylamino)-4-methylpentan-2-yl]-1-methylpyrazole-3,4-diamine?
The IUPAC name of 3-N-[1-(dimethylamino)-4-methylpentan-2-yl]-1-methylpyrazole-3,4-diamine (CID 103078240) is 3-N-[1-(dimethylamino)-4-methylpentan-2-yl]-1-methylpyrazole-3,4-diamine.
What is the SMILES notation for 3-N-[1-(dimethylamino)-4-methylpentan-2-yl]-1-methylpyrazole-3,4-diamine?
The canonical SMILES for 3-N-[1-(dimethylamino)-4-methylpentan-2-yl]-1-methylpyrazole-3,4-diamine is CC(C)CC(CN(C)C)Nc1nn(C)cc1N.
What is the InChIKey of 3-N-[1-(dimethylamino)-4-methylpentan-2-yl]-1-methylpyrazole-3,4-diamine?
The InChIKey is KJUBBRWRNPMUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N5/c1-9(2)6-10(7-16(3)4)14-12-11(13)8-17(5)15-12/h8-10H,6-7,13H2,1-5H3,(H,14,15).
What are the key properties of 3-N-[1-(dimethylamino)-4-methylpentan-2-yl]-1-methylpyrazole-3,4-diamine?
3-N-[1-(dimethylamino)-4-methylpentan-2-yl]-1-methylpyrazole-3,4-diamine has a molecular weight of 239.37 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[1-(dimethylamino)-4-methylpentan-2-yl]-1-methylpyrazole-3,4-diamine is sourced from PubChem (CID 103078240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).