1-(3-ethoxypropyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]imidazol-2-amine

C14H23N5O2 — CID 106567628

IUPAC1-(3-ethoxypropyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]imidazol-2-amine
SMILESCCOCCCn1ccnc1Nc1cnn(CCOC)c1
InChIInChI=1S/C14H23N5O2/c1-3-21-9-4-6-18-7-5-15-14(18)17-13-11-16-19(12-13)8-10-20-2/h5,7,11-12H,3-4,6,8-10H2,1-2H3,(H,15,17)
InChIKeyHIQGCABKYYPSPZ-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.90
Rot. Bonds10

About 1-(3-ethoxypropyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]imidazol-2-amine

1-(3-ethoxypropyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]imidazol-2-amine (PubChem CID 106567628) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-(3-ethoxypropyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]imidazol-2-amine.

Molecular Properties

Compound Name1-(3-ethoxypropyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]imidazol-2-amine
PubChem CID106567628
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name1-(3-ethoxypropyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]imidazol-2-amine
SMILESCCOCCCn1ccnc1Nc1cnn(CCOC)c1
InChIInChI=1S/C14H23N5O2/c1-3-21-9-4-6-18-7-5-15-14(18)17-13-11-16-19(12-13)8-10-20-2/h5,7,11-12H,3-4,6,8-10H2,1-2H3,(H,15,17)
InChIKeyHIQGCABKYYPSPZ-UHFFFAOYSA-N
XLogP1.90
TPSA66.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-(3-ethoxypropyl)-N-methylimidazol-2-amine
CID 106555069
N-(3-ethoxypropyl)-1-(2-methoxyethyl)imidazol-2-amine
CID 106554857
1-ethyl-N-(1-ethylpyrazol-4-yl)imidazol-2-amine
CID 62137131
N-(4-iodophenyl)-1-(3-methoxypropyl)imidazol-2-amine
CID 106554175
1-(3-methoxypropyl)-N-(4-propoxyphenyl)imidazol-2-amine
CID 106569649
N-[1-(3-ethoxypropyl)imidazol-2-yl]-2-methylpyridin-3-amine
CID 106575856
1-(3-ethoxypropyl)-N-(2,3,5-trifluorophenyl)imidazol-2-amine
CID 106570947
1-(2-ethoxyethyl)-N-phenylimidazol-2-amine
CID 106554048
5-fluoro-N-[1-(3-methoxypropyl)imidazol-2-yl]pyridin-3-amine
CID 114254404
N-(2,3-dichlorophenyl)-1-(3-ethoxypropyl)imidazol-2-amine
CID 106560302
1-(3-ethoxypropyl)-N-(2,3,4-trifluorophenyl)imidazol-2-amine
CID 106556806
1-(3-ethoxypropyl)-N-(2-methylbutan-2-yl)imidazol-2-amine
CID 106554767

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxypropyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]imidazol-2-amine?
The IUPAC name of 1-(3-ethoxypropyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]imidazol-2-amine (CID 106567628) is 1-(3-ethoxypropyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]imidazol-2-amine.
What is the SMILES notation for 1-(3-ethoxypropyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]imidazol-2-amine?
The canonical SMILES for 1-(3-ethoxypropyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]imidazol-2-amine is CCOCCCn1ccnc1Nc1cnn(CCOC)c1.
What is the InChIKey of 1-(3-ethoxypropyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]imidazol-2-amine?
The InChIKey is HIQGCABKYYPSPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-3-21-9-4-6-18-7-5-15-14(18)17-13-11-16-19(12-13)8-10-20-2/h5,7,11-12H,3-4,6,8-10H2,1-2H3,(H,15,17).
What are the key properties of 1-(3-ethoxypropyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]imidazol-2-amine?
1-(3-ethoxypropyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]imidazol-2-amine has a molecular weight of 293.37 g/mol, XLogP of 1.90, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxypropyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]imidazol-2-amine is sourced from PubChem (CID 106567628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).