5-N-(2-methoxy-2-methylpropyl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine

C12H24N4O — CID 104758808

IUPAC5-N-(2-methoxy-2-methylpropyl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine
SMILESCOC(C)(C)CNc1c(N)c(C(C)C)nn1C
InChIInChI=1S/C12H24N4O/c1-8(2)10-9(13)11(16(5)15-10)14-7-12(3,4)17-6/h8,14H,7,13H2,1-6H3
InChIKeyVWBNUGSPYUTPQK-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.96
Rot. Bonds5

About 5-N-(2-methoxy-2-methylpropyl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine

5-N-(2-methoxy-2-methylpropyl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine (PubChem CID 104758808) has the molecular formula C12H24N4O and a molecular weight of 240.35 g/mol. Its IUPAC name is 5-N-(2-methoxy-2-methylpropyl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-(2-methoxy-2-methylpropyl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine
PubChem CID104758808
Molecular FormulaC12H24N4O
Molecular Weight240.35 g/mol
Exact Mass240.20
IUPAC Name5-N-(2-methoxy-2-methylpropyl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine
SMILESCOC(C)(C)CNc1c(N)c(C(C)C)nn1C
InChIInChI=1S/C12H24N4O/c1-8(2)10-9(13)11(16(5)15-10)14-7-12(3,4)17-6/h8,14H,7,13H2,1-6H3
InChIKeyVWBNUGSPYUTPQK-UHFFFAOYSA-N
XLogP1.96
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-N-(cyclopropylmethyl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine
CID 66018365
1-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-3-methoxypropan-2-ol
CID 66012143
5-N-[2-(dimethylamino)ethyl]-1-methyl-3-propan-2-ylpyrazole-4,5-diamine
CID 66018172
2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]acetic acid
CID 66019776
5-N-[(1-methoxycyclobutyl)methyl]-1-methyl-3-propan-2-ylpyrazole-4,5-diamine
CID 114118785
1-methyl-5-N,3-di(propan-2-yl)pyrazole-4,5-diamine
CID 66017780
1-methyl-5-N-(2-piperidin-1-ylpropyl)-3-propan-2-ylpyrazole-4,5-diamine
CID 66019007
2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-N-methylacetamide
CID 66018193
5-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]pentan-2-ol
CID 114146037
4-[[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]methyl]benzonitrile
CID 66019778
2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-N,N-dimethylacetamide
CID 66018194
5-N-[(4-fluorophenyl)methyl]-1-methyl-3-propan-2-ylpyrazole-4,5-diamine
CID 66019338

Frequently Asked Questions

What is the IUPAC name of 5-N-(2-methoxy-2-methylpropyl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine?
The IUPAC name of 5-N-(2-methoxy-2-methylpropyl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine (CID 104758808) is 5-N-(2-methoxy-2-methylpropyl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-(2-methoxy-2-methylpropyl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-(2-methoxy-2-methylpropyl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine is COC(C)(C)CNc1c(N)c(C(C)C)nn1C.
What is the InChIKey of 5-N-(2-methoxy-2-methylpropyl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine?
The InChIKey is VWBNUGSPYUTPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O/c1-8(2)10-9(13)11(16(5)15-10)14-7-12(3,4)17-6/h8,14H,7,13H2,1-6H3.
What are the key properties of 5-N-(2-methoxy-2-methylpropyl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine?
5-N-(2-methoxy-2-methylpropyl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine has a molecular weight of 240.35 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2-methoxy-2-methylpropyl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine is sourced from PubChem (CID 104758808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).