5-N,1-dimethyl-5-N-pentan-2-yl-3-propylpyrazole-4,5-diamine

C13H26N4 — CID 66019626

IUPAC5-N,1-dimethyl-5-N-pentan-2-yl-3-propylpyrazole-4,5-diamine
SMILESCCCc1nn(C)c(N(C)C(C)CCC)c1N
InChIInChI=1S/C13H26N4/c1-6-8-10(3)16(4)13-12(14)11(9-7-2)15-17(13)5/h10H,6-9,14H2,1-5H3
InChIKeyQGCJMMXOTBIRTP-UHFFFAOYSA-N
MW238.38 g/mol
LogP2.58
Rot. Bonds6

About 5-N,1-dimethyl-5-N-pentan-2-yl-3-propylpyrazole-4,5-diamine

5-N,1-dimethyl-5-N-pentan-2-yl-3-propylpyrazole-4,5-diamine (PubChem CID 66019626) has the molecular formula C13H26N4 and a molecular weight of 238.38 g/mol. Its IUPAC name is 5-N,1-dimethyl-5-N-pentan-2-yl-3-propylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N,1-dimethyl-5-N-pentan-2-yl-3-propylpyrazole-4,5-diamine
PubChem CID66019626
Molecular FormulaC13H26N4
Molecular Weight238.38 g/mol
Exact Mass238.22
IUPAC Name5-N,1-dimethyl-5-N-pentan-2-yl-3-propylpyrazole-4,5-diamine
SMILESCCCc1nn(C)c(N(C)C(C)CCC)c1N
InChIInChI=1S/C13H26N4/c1-6-8-10(3)16(4)13-12(14)11(9-7-2)15-17(13)5/h10H,6-9,14H2,1-5H3
InChIKeyQGCJMMXOTBIRTP-UHFFFAOYSA-N
XLogP2.58
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-N,1-dimethyl-5-N-(2-methylbutyl)-3-propylpyrazole-4,5-diamine
CID 66019042
5-N-[1-(2-fluorophenyl)ethyl]-5-N,1-dimethyl-3-propylpyrazole-4,5-diamine
CID 66019281
5-N-cyclopropyl-1-methyl-5-N-(2-methylpropyl)-3-propylpyrazole-4,5-diamine
CID 66018877
2-[(4-amino-1-methyl-3-propylpyrazol-5-yl)-methylamino]-N-propan-2-ylacetamide
CID 66019457
3-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)-methylamino]butanenitrile
CID 66016039
5-N,1-dimethyl-5-N-[(1-methylpiperidin-4-yl)methyl]-3-propylpyrazole-4,5-diamine
CID 66018897
5-N-(2-methoxyethyl)-5-N-(1-methoxypropan-2-yl)-1-methyl-3-propylpyrazole-4,5-diamine
CID 66019266
2-[(4-amino-1,3-dimethylpyrazol-5-yl)-methylamino]propan-1-ol
CID 104551141
5-N-(4-ethylphenyl)-5-N,1-dimethyl-3-propylpyrazole-4,5-diamine
CID 66017913
5-N,1-dimethyl-5-N-(3-methylcyclohexyl)-3-propylpyrazole-4,5-diamine
CID 66019252
5-N-[(2-fluorophenyl)methyl]-5-N,1-dimethyl-3-propylpyrazole-4,5-diamine
CID 66017108
1-methyl-5-N-(5-methylhexan-2-yl)-3-propylpyrazole-4,5-diamine
CID 66018319

Frequently Asked Questions

What is the IUPAC name of 5-N,1-dimethyl-5-N-pentan-2-yl-3-propylpyrazole-4,5-diamine?
The IUPAC name of 5-N,1-dimethyl-5-N-pentan-2-yl-3-propylpyrazole-4,5-diamine (CID 66019626) is 5-N,1-dimethyl-5-N-pentan-2-yl-3-propylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N,1-dimethyl-5-N-pentan-2-yl-3-propylpyrazole-4,5-diamine?
The canonical SMILES for 5-N,1-dimethyl-5-N-pentan-2-yl-3-propylpyrazole-4,5-diamine is CCCc1nn(C)c(N(C)C(C)CCC)c1N.
What is the InChIKey of 5-N,1-dimethyl-5-N-pentan-2-yl-3-propylpyrazole-4,5-diamine?
The InChIKey is QGCJMMXOTBIRTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4/c1-6-8-10(3)16(4)13-12(14)11(9-7-2)15-17(13)5/h10H,6-9,14H2,1-5H3.
What are the key properties of 5-N,1-dimethyl-5-N-pentan-2-yl-3-propylpyrazole-4,5-diamine?
5-N,1-dimethyl-5-N-pentan-2-yl-3-propylpyrazole-4,5-diamine has a molecular weight of 238.38 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,1-dimethyl-5-N-pentan-2-yl-3-propylpyrazole-4,5-diamine is sourced from PubChem (CID 66019626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).