5-N,5-N-dibutyl-3-methyl-1-propan-2-ylpyrazole-4,5-diamine

C15H30N4 — CID 66027530

IUPAC5-N,5-N-dibutyl-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
SMILESCCCCN(CCCC)c1c(N)c(C)nn1C(C)C
InChIInChI=1S/C15H30N4/c1-6-8-10-18(11-9-7-2)15-14(16)13(5)17-19(15)12(3)4/h12H,6-11,16H2,1-5H3
InChIKeyJHZKHIBNOJICSM-UHFFFAOYSA-N
MW266.43 g/mol
LogP3.76
Rot. Bonds8

About 5-N,5-N-dibutyl-3-methyl-1-propan-2-ylpyrazole-4,5-diamine

5-N,5-N-dibutyl-3-methyl-1-propan-2-ylpyrazole-4,5-diamine (PubChem CID 66027530) has the molecular formula C15H30N4 and a molecular weight of 266.43 g/mol. Its IUPAC name is 5-N,5-N-dibutyl-3-methyl-1-propan-2-ylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N,5-N-dibutyl-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
PubChem CID66027530
Molecular FormulaC15H30N4
Molecular Weight266.43 g/mol
Exact Mass266.25
IUPAC Name5-N,5-N-dibutyl-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
SMILESCCCCN(CCCC)c1c(N)c(C)nn1C(C)C
InChIInChI=1S/C15H30N4/c1-6-8-10-18(11-9-7-2)15-14(16)13(5)17-19(15)12(3)4/h12H,6-11,16H2,1-5H3
InChIKeyJHZKHIBNOJICSM-UHFFFAOYSA-N
XLogP3.76
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-N,5-N-bis(2-ethoxyethyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
CID 82959710
5-N,3-dimethyl-1-propan-2-yl-5-N-propylpyrazole-4,5-diamine
CID 66029474
5-N-butan-2-yl-5-N,3-dimethyl-1-propan-2-ylpyrazole-4,5-diamine
CID 66029669
2-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)-(2-amino-2-oxoethyl)amino]acetamide
CID 66027391
5-N-butyl-5-N-ethyl-1,3-dimethylpyrazole-4,5-diamine
CID 43553970
5-N-(cyclobutylmethyl)-5-N-ethyl-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
CID 107397231
2-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)-methylamino]propan-1-ol
CID 104551173
5-N-hexan-2-yl-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
CID 66028933
5-N-methoxy-5-N,3-dimethyl-1-propan-2-ylpyrazole-4,5-diamine
CID 66027938
1-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)-methylamino]-3-methoxypropan-2-ol
CID 66027958
1,3-dimethyl-5-N-pentyl-5-N-propan-2-ylpyrazole-4,5-diamine
CID 55001820
5-N-[[1-(dimethylamino)cyclobutyl]methyl]-5-N,3-dimethyl-1-propan-2-ylpyrazole-4,5-diamine
CID 105414216

Frequently Asked Questions

What is the IUPAC name of 5-N,5-N-dibutyl-3-methyl-1-propan-2-ylpyrazole-4,5-diamine?
The IUPAC name of 5-N,5-N-dibutyl-3-methyl-1-propan-2-ylpyrazole-4,5-diamine (CID 66027530) is 5-N,5-N-dibutyl-3-methyl-1-propan-2-ylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N,5-N-dibutyl-3-methyl-1-propan-2-ylpyrazole-4,5-diamine?
The canonical SMILES for 5-N,5-N-dibutyl-3-methyl-1-propan-2-ylpyrazole-4,5-diamine is CCCCN(CCCC)c1c(N)c(C)nn1C(C)C.
What is the InChIKey of 5-N,5-N-dibutyl-3-methyl-1-propan-2-ylpyrazole-4,5-diamine?
The InChIKey is JHZKHIBNOJICSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4/c1-6-8-10-18(11-9-7-2)15-14(16)13(5)17-19(15)12(3)4/h12H,6-11,16H2,1-5H3.
What are the key properties of 5-N,5-N-dibutyl-3-methyl-1-propan-2-ylpyrazole-4,5-diamine?
5-N,5-N-dibutyl-3-methyl-1-propan-2-ylpyrazole-4,5-diamine has a molecular weight of 266.43 g/mol, XLogP of 3.76, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,5-N-dibutyl-3-methyl-1-propan-2-ylpyrazole-4,5-diamine is sourced from PubChem (CID 66027530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).