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

C15H22N4O — CID 117210552

IUPACN'-[5-ethyl-1-(4-methoxyphenyl)pyrazol-4-yl]propane-1,3-diamine
SMILESCCc1c(NCCCN)cnn1-c1ccc(OC)cc1
InChIInChI=1S/C15H22N4O/c1-3-15-14(17-10-4-9-16)11-18-19(15)12-5-7-13(20-2)8-6-12/h5-8,11,17H,3-4,9-10,16H2,1-2H3
InChIKeyFDHRLOFLWDDHCB-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.20
Rot. Bonds7

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

N'-[5-ethyl-1-(4-methoxyphenyl)pyrazol-4-yl]propane-1,3-diamine (PubChem CID 117210552) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is N'-[5-ethyl-1-(4-methoxyphenyl)pyrazol-4-yl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-[5-ethyl-1-(4-methoxyphenyl)pyrazol-4-yl]propane-1,3-diamine
PubChem CID117210552
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC NameN'-[5-ethyl-1-(4-methoxyphenyl)pyrazol-4-yl]propane-1,3-diamine
SMILESCCc1c(NCCCN)cnn1-c1ccc(OC)cc1
InChIInChI=1S/C15H22N4O/c1-3-15-14(17-10-4-9-16)11-18-19(15)12-5-7-13(20-2)8-6-12/h5-8,11,17H,3-4,9-10,16H2,1-2H3
InChIKeyFDHRLOFLWDDHCB-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-(3-methoxyphenyl)pyrazol-4-yl]propane-1,3-diamine
CID 117210740
5-ethyl-1-(4-methoxyphenyl)pyrazol-4-amine
CID 66441037
4-(bromomethyl)-5-ethyl-1-(4-methoxyphenyl)pyrazole
CID 66439466
N'-[5-cyclobutyl-1-(3-methoxyphenyl)pyrazol-4-yl]propane-1,3-diamine
CID 117210662
N-[[5-ethyl-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]propan-2-amine
CID 66439565
1-[5-ethyl-1-(4-methoxyphenyl)pyrazol-4-yl]piperazine
CID 117210570
N'-(5-methoxy-2-pyridinyl)pentane-1,5-diamine
CID 107323439
[5-bromo-1-(4-methoxyphenyl)pyrazol-4-yl]methanamine
CID 115051853
N-(3-aminopropyl)-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide;hydrochloride
CID 119406144
N'-[4-(4-methoxyphenyl)-2-propan-2-ylpyrimidin-5-yl]propane-1,3-diamine
CID 117211984
N'-[2-(4-methoxyphenyl)-4-propan-2-ylpyrimidin-5-yl]propane-1,3-diamine
CID 117212185
N'-(5-cyclopropyl-1-phenylpyrazol-4-yl)propane-1,3-diamine
CID 117210426

Frequently Asked Questions

What is the IUPAC name of N'-[5-ethyl-1-(4-methoxyphenyl)pyrazol-4-yl]propane-1,3-diamine?
The IUPAC name of N'-[5-ethyl-1-(4-methoxyphenyl)pyrazol-4-yl]propane-1,3-diamine (CID 117210552) is N'-[5-ethyl-1-(4-methoxyphenyl)pyrazol-4-yl]propane-1,3-diamine.
What is the SMILES notation for N'-[5-ethyl-1-(4-methoxyphenyl)pyrazol-4-yl]propane-1,3-diamine?
The canonical SMILES for N'-[5-ethyl-1-(4-methoxyphenyl)pyrazol-4-yl]propane-1,3-diamine is CCc1c(NCCCN)cnn1-c1ccc(OC)cc1.
What is the InChIKey of N'-[5-ethyl-1-(4-methoxyphenyl)pyrazol-4-yl]propane-1,3-diamine?
The InChIKey is FDHRLOFLWDDHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-3-15-14(17-10-4-9-16)11-18-19(15)12-5-7-13(20-2)8-6-12/h5-8,11,17H,3-4,9-10,16H2,1-2H3.
What are the key properties of N'-[5-ethyl-1-(4-methoxyphenyl)pyrazol-4-yl]propane-1,3-diamine?
N'-[5-ethyl-1-(4-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-(4-methoxyphenyl)pyrazol-4-yl]propane-1,3-diamine is sourced from PubChem (CID 117210552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).