N'-[5-ethyl-1-(3-methoxyphenyl)pyrazol-4-yl]propane-1,3-diamine

C15H22N4O — CID 117210740

IUPACN'-[5-ethyl-1-(3-methoxyphenyl)pyrazol-4-yl]propane-1,3-diamine
SMILESCCc1c(NCCCN)cnn1-c1cccc(OC)c1
InChIInChI=1S/C15H22N4O/c1-3-15-14(17-9-5-8-16)11-18-19(15)12-6-4-7-13(10-12)20-2/h4,6-7,10-11,17H,3,5,8-9,16H2,1-2H3
InChIKeyLXHMLRYOIQYXOT-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.20
Rot. Bonds7

About N'-[5-ethyl-1-(3-methoxyphenyl)pyrazol-4-yl]propane-1,3-diamine

N'-[5-ethyl-1-(3-methoxyphenyl)pyrazol-4-yl]propane-1,3-diamine (PubChem CID 117210740) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is N'-[5-ethyl-1-(3-methoxyphenyl)pyrazol-4-yl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-[5-ethyl-1-(3-methoxyphenyl)pyrazol-4-yl]propane-1,3-diamine
PubChem CID117210740
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC NameN'-[5-ethyl-1-(3-methoxyphenyl)pyrazol-4-yl]propane-1,3-diamine
SMILESCCc1c(NCCCN)cnn1-c1cccc(OC)c1
InChIInChI=1S/C15H22N4O/c1-3-15-14(17-9-5-8-16)11-18-19(15)12-6-4-7-13(10-12)20-2/h4,6-7,10-11,17H,3,5,8-9,16H2,1-2H3
InChIKeyLXHMLRYOIQYXOT-UHFFFAOYSA-N
XLogP2.20
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[5-ethyl-1-(4-methoxyphenyl)pyrazol-4-yl]propane-1,3-diamine
CID 117210552
N'-[5-cyclobutyl-1-(3-methoxyphenyl)pyrazol-4-yl]propane-1,3-diamine
CID 117210662
N'-[5-[(3-methoxyphenyl)methyl]-1-methylpyrazol-4-yl]ethane-1,2-diamine
CID 117210316
[1-(3-methoxyphenyl)-5-propylpyrazol-4-yl]methanamine
CID 114798972
N'-[1-(3-methylphenyl)-5-propan-2-ylpyrazol-4-yl]propane-1,3-diamine
CID 117210731
[5-bromo-1-(3-methoxyphenyl)pyrazol-4-yl]methanamine
CID 115051851
3-[4-(3-aminopropylamino)-5-cyclohexylpyrazol-1-yl]phenol
CID 117210688
1-[5-ethyl-1-(3-methoxyphenyl)triazol-4-yl]-N-methylpropan-1-amine
CID 107431439
N'-(5-cyclopropyl-1-phenylpyrazol-4-yl)propane-1,3-diamine
CID 117210426
N'-[4-(3-methoxyphenyl)-2-propan-2-ylpyrimidin-5-yl]propane-1,3-diamine
CID 117211775
N'-[1-(3-methylphenyl)-5-phenylpyrazol-4-yl]ethane-1,2-diamine
CID 117210689
1-(3-methoxyphenyl)-5-methylpyrazole-4-sulfonamide
CID 114798717

Frequently Asked Questions

What is the IUPAC name of N'-[5-ethyl-1-(3-methoxyphenyl)pyrazol-4-yl]propane-1,3-diamine?
The IUPAC name of N'-[5-ethyl-1-(3-methoxyphenyl)pyrazol-4-yl]propane-1,3-diamine (CID 117210740) is N'-[5-ethyl-1-(3-methoxyphenyl)pyrazol-4-yl]propane-1,3-diamine.
What is the SMILES notation for N'-[5-ethyl-1-(3-methoxyphenyl)pyrazol-4-yl]propane-1,3-diamine?
The canonical SMILES for N'-[5-ethyl-1-(3-methoxyphenyl)pyrazol-4-yl]propane-1,3-diamine is CCc1c(NCCCN)cnn1-c1cccc(OC)c1.
What is the InChIKey of N'-[5-ethyl-1-(3-methoxyphenyl)pyrazol-4-yl]propane-1,3-diamine?
The InChIKey is LXHMLRYOIQYXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-3-15-14(17-9-5-8-16)11-18-19(15)12-6-4-7-13(10-12)20-2/h4,6-7,10-11,17H,3,5,8-9,16H2,1-2H3.
What are the key properties of N'-[5-ethyl-1-(3-methoxyphenyl)pyrazol-4-yl]propane-1,3-diamine?
N'-[5-ethyl-1-(3-methoxyphenyl)pyrazol-4-yl]propane-1,3-diamine has a molecular weight of 274.37 g/mol, XLogP of 2.20, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-ethyl-1-(3-methoxyphenyl)pyrazol-4-yl]propane-1,3-diamine is sourced from PubChem (CID 117210740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).