3-N-(4-methoxybutan-2-yl)-1-methylpyrazole-3,4-diamine

C9H18N4O — CID 103078594

IUPAC3-N-(4-methoxybutan-2-yl)-1-methylpyrazole-3,4-diamine
SMILESCOCCC(C)Nc1nn(C)cc1N
InChIInChI=1S/C9H18N4O/c1-7(4-5-14-3)11-9-8(10)6-13(2)12-9/h6-7H,4-5,10H2,1-3H3,(H,11,12)
InChIKeyRFJRYXZFXPXGLM-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.84
Rot. Bonds5

About 3-N-(4-methoxybutan-2-yl)-1-methylpyrazole-3,4-diamine

3-N-(4-methoxybutan-2-yl)-1-methylpyrazole-3,4-diamine (PubChem CID 103078594) has the molecular formula C9H18N4O and a molecular weight of 198.27 g/mol. Its IUPAC name is 3-N-(4-methoxybutan-2-yl)-1-methylpyrazole-3,4-diamine.

Molecular Properties

Compound Name3-N-(4-methoxybutan-2-yl)-1-methylpyrazole-3,4-diamine
PubChem CID103078594
Molecular FormulaC9H18N4O
Molecular Weight198.27 g/mol
Exact Mass198.15
IUPAC Name3-N-(4-methoxybutan-2-yl)-1-methylpyrazole-3,4-diamine
SMILESCOCCC(C)Nc1nn(C)cc1N
InChIInChI=1S/C9H18N4O/c1-7(4-5-14-3)11-9-8(10)6-13(2)12-9/h6-7H,4-5,10H2,1-3H3,(H,11,12)
InChIKeyRFJRYXZFXPXGLM-UHFFFAOYSA-N
XLogP0.84
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(4-amino-1-methylpyrazol-3-yl)amino]-3-methylbutanoate
CID 103078315
3-N-[2-(2-methoxyethoxy)ethyl]-1-methylpyrazole-3,4-diamine
CID 103078331
3-N-[1-(dimethylamino)-4-methylpentan-2-yl]-1-methylpyrazole-3,4-diamine
CID 103078240
5-chloro-4-N-(4-methoxybutan-2-yl)pyrimidine-4,6-diamine
CID 106811981
5-amino-6-(4-methoxybutan-2-ylamino)pyridine-2-carboxamide
CID 114406795
3-N-(1-cyclobutylethyl)-1-methylpyrazole-3,4-diamine
CID 103078915
5-amino-6-(4-methoxybutan-2-ylamino)pyridine-3-carboxylic acid
CID 81438845
4-[(4-amino-1-methylpyrazol-3-yl)amino]-3-methylbutan-1-ol
CID 103078659
5-amino-2-(4-methoxybutan-2-ylamino)pyridine-3-carboxamide
CID 64600483
4-N-(4-methoxybutan-2-yl)-2-methylbenzene-1,4-diamine
CID 19861688
4-amino-N-(1-methoxy-3-methylbutan-2-yl)-1-methylpyrazole-3-carboxamide
CID 65355744
1-methyl-3-N-(3-methylsulfinylbutyl)pyrazole-3,4-diamine
CID 103078897

Frequently Asked Questions

What is the IUPAC name of 3-N-(4-methoxybutan-2-yl)-1-methylpyrazole-3,4-diamine?
The IUPAC name of 3-N-(4-methoxybutan-2-yl)-1-methylpyrazole-3,4-diamine (CID 103078594) is 3-N-(4-methoxybutan-2-yl)-1-methylpyrazole-3,4-diamine.
What is the SMILES notation for 3-N-(4-methoxybutan-2-yl)-1-methylpyrazole-3,4-diamine?
The canonical SMILES for 3-N-(4-methoxybutan-2-yl)-1-methylpyrazole-3,4-diamine is COCCC(C)Nc1nn(C)cc1N.
What is the InChIKey of 3-N-(4-methoxybutan-2-yl)-1-methylpyrazole-3,4-diamine?
The InChIKey is RFJRYXZFXPXGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O/c1-7(4-5-14-3)11-9-8(10)6-13(2)12-9/h6-7H,4-5,10H2,1-3H3,(H,11,12).
What are the key properties of 3-N-(4-methoxybutan-2-yl)-1-methylpyrazole-3,4-diamine?
3-N-(4-methoxybutan-2-yl)-1-methylpyrazole-3,4-diamine has a molecular weight of 198.27 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(4-methoxybutan-2-yl)-1-methylpyrazole-3,4-diamine is sourced from PubChem (CID 103078594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).