3-methyl-5-N-(2-methylbutan-2-yl)-1-propylpyrazole-4,5-diamine

C12H24N4 — CID 66027987

IUPAC3-methyl-5-N-(2-methylbutan-2-yl)-1-propylpyrazole-4,5-diamine
SMILESCCCn1nc(C)c(N)c1NC(C)(C)CC
InChIInChI=1S/C12H24N4/c1-6-8-16-11(10(13)9(3)15-16)14-12(4,5)7-2/h14H,6-8,13H2,1-5H3
InChIKeyLRTQFKSYXPDQPS-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.78
Rot. Bonds5

About 3-methyl-5-N-(2-methylbutan-2-yl)-1-propylpyrazole-4,5-diamine

3-methyl-5-N-(2-methylbutan-2-yl)-1-propylpyrazole-4,5-diamine (PubChem CID 66027987) has the molecular formula C12H24N4 and a molecular weight of 224.35 g/mol. Its IUPAC name is 3-methyl-5-N-(2-methylbutan-2-yl)-1-propylpyrazole-4,5-diamine.

Molecular Properties

Compound Name3-methyl-5-N-(2-methylbutan-2-yl)-1-propylpyrazole-4,5-diamine
PubChem CID66027987
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC Name3-methyl-5-N-(2-methylbutan-2-yl)-1-propylpyrazole-4,5-diamine
SMILESCCCn1nc(C)c(N)c1NC(C)(C)CC
InChIInChI=1S/C12H24N4/c1-6-8-16-11(10(13)9(3)15-16)14-12(4,5)7-2/h14H,6-8,13H2,1-5H3
InChIKeyLRTQFKSYXPDQPS-UHFFFAOYSA-N
XLogP2.78
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-amino-3-methyl-1-propylpyrazol-5-yl)amino]-2-methylpropan-1-ol
CID 66029551
2-[(4-amino-3-methyl-1-propylpyrazol-5-yl)amino]ethanesulfonamide
CID 66028394
2-[(4-amino-3-methyl-1-propylpyrazol-5-yl)amino]-2-phenylpropan-1-ol
CID 105057764
5-N-[2-(4-fluorophenyl)ethyl]-3-methyl-1-propylpyrazole-4,5-diamine
CID 66028755
5-N-(3-cyclopentylpropyl)-3-methyl-1-propylpyrazole-4,5-diamine
CID 106007196
3-methyl-1-propyl-5-N-(3-pyrrolidin-1-ylpropyl)pyrazole-4,5-diamine
CID 66029788
3-methyl-5-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-propylpyrazole-4,5-diamine
CID 106036104
5-N-[2-(furan-2-yl)ethyl]-3-methyl-1-propylpyrazole-4,5-diamine
CID 66029181
5-N-[(2-chlorophenyl)methyl]-3-methyl-1-propylpyrazole-4,5-diamine
CID 66029529
5-N-(3-bromo-4-methylphenyl)-3-methyl-1-propylpyrazole-4,5-diamine
CID 66028825
5-N-(3,4-dimethylphenyl)-3-methyl-1-propylpyrazole-4,5-diamine
CID 66027995
5-N-(3,5-dimethylphenyl)-3-methyl-1-propylpyrazole-4,5-diamine
CID 66029347

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-N-(2-methylbutan-2-yl)-1-propylpyrazole-4,5-diamine?
The IUPAC name of 3-methyl-5-N-(2-methylbutan-2-yl)-1-propylpyrazole-4,5-diamine (CID 66027987) is 3-methyl-5-N-(2-methylbutan-2-yl)-1-propylpyrazole-4,5-diamine.
What is the SMILES notation for 3-methyl-5-N-(2-methylbutan-2-yl)-1-propylpyrazole-4,5-diamine?
The canonical SMILES for 3-methyl-5-N-(2-methylbutan-2-yl)-1-propylpyrazole-4,5-diamine is CCCn1nc(C)c(N)c1NC(C)(C)CC.
What is the InChIKey of 3-methyl-5-N-(2-methylbutan-2-yl)-1-propylpyrazole-4,5-diamine?
The InChIKey is LRTQFKSYXPDQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4/c1-6-8-16-11(10(13)9(3)15-16)14-12(4,5)7-2/h14H,6-8,13H2,1-5H3.
What are the key properties of 3-methyl-5-N-(2-methylbutan-2-yl)-1-propylpyrazole-4,5-diamine?
3-methyl-5-N-(2-methylbutan-2-yl)-1-propylpyrazole-4,5-diamine has a molecular weight of 224.35 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-N-(2-methylbutan-2-yl)-1-propylpyrazole-4,5-diamine is sourced from PubChem (CID 66027987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).