N',N'-dimethyl-N-(5-phenyl-1H-pyrazol-3-yl)propane-1,3-diamine

C14H20N4 — CID 10800355

IUPACN',N'-dimethyl-N-(5-phenyl-1H-pyrazol-3-yl)propane-1,3-diamine
SMILESCN(C)CCCNc1cc(-c2ccccc2)[nH]n1
InChIInChI=1S/C14H20N4/c1-18(2)10-6-9-15-14-11-13(16-17-14)12-7-4-3-5-8-12/h3-5,7-8,11H,6,9-10H2,1-2H3,(H2,15,16,17)
InChIKeyLKEFKWNBCZWYAX-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.44
Rot. Bonds6

About N',N'-dimethyl-N-(5-phenyl-1H-pyrazol-3-yl)propane-1,3-diamine

N',N'-dimethyl-N-(5-phenyl-1H-pyrazol-3-yl)propane-1,3-diamine (PubChem CID 10800355) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is N',N'-dimethyl-N-(5-phenyl-1H-pyrazol-3-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-(5-phenyl-1H-pyrazol-3-yl)propane-1,3-diamine
PubChem CID10800355
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC NameN',N'-dimethyl-N-(5-phenyl-1H-pyrazol-3-yl)propane-1,3-diamine
SMILESCN(C)CCCNc1cc(-c2ccccc2)[nH]n1
InChIInChI=1S/C14H20N4/c1-18(2)10-6-9-15-14-11-13(16-17-14)12-7-4-3-5-8-12/h3-5,7-8,11H,6,9-10H2,1-2H3,(H2,15,16,17)
InChIKeyLKEFKWNBCZWYAX-UHFFFAOYSA-N
XLogP2.44
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.44
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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Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-(5-phenyl-1H-pyrazol-3-yl)propane-1,3-diamine?
The IUPAC name of N',N'-dimethyl-N-(5-phenyl-1H-pyrazol-3-yl)propane-1,3-diamine (CID 10800355) is N',N'-dimethyl-N-(5-phenyl-1H-pyrazol-3-yl)propane-1,3-diamine.
What is the SMILES notation for N',N'-dimethyl-N-(5-phenyl-1H-pyrazol-3-yl)propane-1,3-diamine?
The canonical SMILES for N',N'-dimethyl-N-(5-phenyl-1H-pyrazol-3-yl)propane-1,3-diamine is CN(C)CCCNc1cc(-c2ccccc2)[nH]n1.
What is the InChIKey of N',N'-dimethyl-N-(5-phenyl-1H-pyrazol-3-yl)propane-1,3-diamine?
The InChIKey is LKEFKWNBCZWYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-18(2)10-6-9-15-14-11-13(16-17-14)12-7-4-3-5-8-12/h3-5,7-8,11H,6,9-10H2,1-2H3,(H2,15,16,17).
What are the key properties of N',N'-dimethyl-N-(5-phenyl-1H-pyrazol-3-yl)propane-1,3-diamine?
N',N'-dimethyl-N-(5-phenyl-1H-pyrazol-3-yl)propane-1,3-diamine has a molecular weight of 244.34 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-(5-phenyl-1H-pyrazol-3-yl)propane-1,3-diamine is sourced from PubChem (CID 10800355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).