5-N-(4-heptylphenyl)-3-N,3-N-dimethyl-1H-pyrazole-3,5-diamine

C18H28N4 — CID 70929908

IUPAC5-N-(4-heptylphenyl)-3-N,3-N-dimethyl-1H-pyrazole-3,5-diamine
SMILESCCCCCCCc1ccc(Nc2cc(N(C)C)n[nH]2)cc1
InChIInChI=1S/C18H28N4/c1-4-5-6-7-8-9-15-10-12-16(13-11-15)19-17-14-18(21-20-17)22(2)3/h10-14H,4-9H2,1-3H3,(H2,19,20,21)
InChIKeyKDPCHMXFQGPXIU-UHFFFAOYSA-N
MW300.45 g/mol
LogP4.73
Rot. Bonds9

About 5-N-(4-heptylphenyl)-3-N,3-N-dimethyl-1H-pyrazole-3,5-diamine

5-N-(4-heptylphenyl)-3-N,3-N-dimethyl-1H-pyrazole-3,5-diamine (PubChem CID 70929908) has the molecular formula C18H28N4 and a molecular weight of 300.45 g/mol. Its IUPAC name is 5-N-(4-heptylphenyl)-3-N,3-N-dimethyl-1H-pyrazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(4-heptylphenyl)-3-N,3-N-dimethyl-1H-pyrazole-3,5-diamine
PubChem CID70929908
Molecular FormulaC18H28N4
Molecular Weight300.45 g/mol
Exact Mass300.23
IUPAC Name5-N-(4-heptylphenyl)-3-N,3-N-dimethyl-1H-pyrazole-3,5-diamine
SMILESCCCCCCCc1ccc(Nc2cc(N(C)C)n[nH]2)cc1
InChIInChI=1S/C18H28N4/c1-4-5-6-7-8-9-15-10-12-16(13-11-15)19-17-14-18(21-20-17)22(2)3/h10-14H,4-9H2,1-3H3,(H2,19,20,21)
InChIKeyKDPCHMXFQGPXIU-UHFFFAOYSA-N
XLogP4.73
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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N-methyl-4-nonadecylaniline
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4-hexadecyl-N-methylaniline
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Frequently Asked Questions

What is the IUPAC name of 5-N-(4-heptylphenyl)-3-N,3-N-dimethyl-1H-pyrazole-3,5-diamine?
The IUPAC name of 5-N-(4-heptylphenyl)-3-N,3-N-dimethyl-1H-pyrazole-3,5-diamine (CID 70929908) is 5-N-(4-heptylphenyl)-3-N,3-N-dimethyl-1H-pyrazole-3,5-diamine.
What is the SMILES notation for 5-N-(4-heptylphenyl)-3-N,3-N-dimethyl-1H-pyrazole-3,5-diamine?
The canonical SMILES for 5-N-(4-heptylphenyl)-3-N,3-N-dimethyl-1H-pyrazole-3,5-diamine is CCCCCCCc1ccc(Nc2cc(N(C)C)n[nH]2)cc1.
What is the InChIKey of 5-N-(4-heptylphenyl)-3-N,3-N-dimethyl-1H-pyrazole-3,5-diamine?
The InChIKey is KDPCHMXFQGPXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4/c1-4-5-6-7-8-9-15-10-12-16(13-11-15)19-17-14-18(21-20-17)22(2)3/h10-14H,4-9H2,1-3H3,(H2,19,20,21).
What are the key properties of 5-N-(4-heptylphenyl)-3-N,3-N-dimethyl-1H-pyrazole-3,5-diamine?
5-N-(4-heptylphenyl)-3-N,3-N-dimethyl-1H-pyrazole-3,5-diamine has a molecular weight of 300.45 g/mol, XLogP of 4.73, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(4-heptylphenyl)-3-N,3-N-dimethyl-1H-pyrazole-3,5-diamine is sourced from PubChem (CID 70929908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).