5-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine

C15H26N6 — CID 114536241

IUPAC5-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
SMILESCc1cc(C)n(CCCNc2c(N)c(C)nn2C(C)C)n1
InChIInChI=1S/C15H26N6/c1-10(2)21-15(14(16)13(5)19-21)17-7-6-8-20-12(4)9-11(3)18-20/h9-10,17H,6-8,16H2,1-5H3
InChIKeyLKKURTBSAMIQJV-UHFFFAOYSA-N
MW290.42 g/mol
LogP2.67
Rot. Bonds6

About 5-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine

5-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine (PubChem CID 114536241) has the molecular formula C15H26N6 and a molecular weight of 290.42 g/mol. Its IUPAC name is 5-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
PubChem CID114536241
Molecular FormulaC15H26N6
Molecular Weight290.42 g/mol
Exact Mass290.22
IUPAC Name5-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
SMILESCc1cc(C)n(CCCNc2c(N)c(C)nn2C(C)C)n1
InChIInChI=1S/C15H26N6/c1-10(2)21-15(14(16)13(5)19-21)17-7-6-8-20-12(4)9-11(3)18-20/h9-10,17H,6-8,16H2,1-5H3
InChIKeyLKKURTBSAMIQJV-UHFFFAOYSA-N
XLogP2.67
TPSA73.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.42
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-methyl-5-N-(3-methylsulfinylpropyl)-1-propan-2-ylpyrazole-4,5-diamine
CID 113487227
2-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methylpyridine-2,5-diamine
CID 114536155
5-N-[2-[di(propan-2-yl)amino]ethyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
CID 66029264
ethyl 4-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]butanoate
CID 66025704
2-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-methylpyridine-2,5-diamine
CID 114536202
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-methyl-1-(2-methylpropyl)imidazol-2-amine
CID 106581880
2-N,4-N-bis[3-(3,5-dimethylpyrazol-1-yl)propyl]-6-methyl-1,3,5-triazine-2,4-diamine
CID 86816276
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2,6-dimethylheptan-4-amine
CID 115706653
3-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5,6-dimethylpyrazin-2-amine
CID 114539015
6-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridine-2,3,6-triamine
CID 114536169
5-N-[2-(4-chlorophenyl)ethyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
CID 66029491
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-(2-methylpropyl)imidazol-2-amine
CID 106581892

Frequently Asked Questions

What is the IUPAC name of 5-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine?
The IUPAC name of 5-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine (CID 114536241) is 5-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine is Cc1cc(C)n(CCCNc2c(N)c(C)nn2C(C)C)n1.
What is the InChIKey of 5-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine?
The InChIKey is LKKURTBSAMIQJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N6/c1-10(2)21-15(14(16)13(5)19-21)17-7-6-8-20-12(4)9-11(3)18-20/h9-10,17H,6-8,16H2,1-5H3.
What are the key properties of 5-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine?
5-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine has a molecular weight of 290.42 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine is sourced from PubChem (CID 114536241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).