5-amino-3-[(2-methoxyphenyl)methoxy]-1-pentylpyrazole-4-carbonitrile

C17H22N4O2 — CID 100763543

IUPAC5-amino-3-[(2-methoxyphenyl)methoxy]-1-pentylpyrazole-4-carbonitrile
SMILESCCCCCn1nc(OCc2ccccc2OC)c(C#N)c1N
InChIInChI=1S/C17H22N4O2/c1-3-4-7-10-21-16(19)14(11-18)17(20-21)23-12-13-8-5-6-9-15(13)22-2/h5-6,8-9H,3-4,7,10,12,19H2,1-2H3
InChIKeyDJETZTBRVXPRQL-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.11
Rot. Bonds8

About 5-amino-3-[(2-methoxyphenyl)methoxy]-1-pentylpyrazole-4-carbonitrile

5-amino-3-[(2-methoxyphenyl)methoxy]-1-pentylpyrazole-4-carbonitrile (PubChem CID 100763543) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 5-amino-3-[(2-methoxyphenyl)methoxy]-1-pentylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-3-[(2-methoxyphenyl)methoxy]-1-pentylpyrazole-4-carbonitrile
PubChem CID100763543
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name5-amino-3-[(2-methoxyphenyl)methoxy]-1-pentylpyrazole-4-carbonitrile
SMILESCCCCCn1nc(OCc2ccccc2OC)c(C#N)c1N
InChIInChI=1S/C17H22N4O2/c1-3-4-7-10-21-16(19)14(11-18)17(20-21)23-12-13-8-5-6-9-15(13)22-2/h5-6,8-9H,3-4,7,10,12,19H2,1-2H3
InChIKeyDJETZTBRVXPRQL-UHFFFAOYSA-N
XLogP3.11
TPSA86.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-amino-1-butyl-3-[(3-methoxyphenyl)methoxy]pyrazole-4-carbonitrile
CID 100762587
5-amino-1-ethyl-3-phenylmethoxypyrazole-4-carbonitrile
CID 100762021
5-amino-3-[(4-methoxyphenyl)methoxy]-1-[(2-methylphenyl)methyl]pyrazole-4-carbonitrile
CID 100765549
5-amino-1-butyl-3-[(2-chlorophenyl)methyl]pyrazole-4-carbonitrile
CID 100762457
1-hexyl-5-[(2-methoxyphenoxy)methyl]triazole-4-carbonitrile
CID 94944092
5-amino-1-[(3-fluorophenyl)methyl]-3-[(2-methylphenyl)methoxy]pyrazole-4-carbonitrile
CID 100764922
5-amino-1-(2-methoxyethyl)-3-[(2-methyl-5-propan-2-ylphenyl)methoxy]pyrazole-4-carbonitrile
CID 100763978
5-amino-1-[(4-fluorophenyl)methyl]-3-[(4-methoxyphenyl)methoxy]pyrazole-4-carbonitrile
CID 100765180
5-amino-3-(2-methoxyphenyl)-1-pentylpyrazole-4-carbaldehyde
CID 82360682
5-amino-3-[(2,5-dimethylphenyl)methoxy]-1-[(4-methoxyphenyl)methyl]pyrazole-4-carbonitrile
CID 100766379
5-amino-3-[(4-bromophenyl)methyl]-1-pentylpyrazole-4-carbonitrile
CID 100763466
5-amino-1-[(2-fluorophenyl)methyl]-3-[(2-methyl-5-propan-2-ylphenyl)methoxy]pyrazole-4-carbonitrile
CID 100764815

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[(2-methoxyphenyl)methoxy]-1-pentylpyrazole-4-carbonitrile?
The IUPAC name of 5-amino-3-[(2-methoxyphenyl)methoxy]-1-pentylpyrazole-4-carbonitrile (CID 100763543) is 5-amino-3-[(2-methoxyphenyl)methoxy]-1-pentylpyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-3-[(2-methoxyphenyl)methoxy]-1-pentylpyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-3-[(2-methoxyphenyl)methoxy]-1-pentylpyrazole-4-carbonitrile is CCCCCn1nc(OCc2ccccc2OC)c(C#N)c1N.
What is the InChIKey of 5-amino-3-[(2-methoxyphenyl)methoxy]-1-pentylpyrazole-4-carbonitrile?
The InChIKey is DJETZTBRVXPRQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-3-4-7-10-21-16(19)14(11-18)17(20-21)23-12-13-8-5-6-9-15(13)22-2/h5-6,8-9H,3-4,7,10,12,19H2,1-2H3.
What are the key properties of 5-amino-3-[(2-methoxyphenyl)methoxy]-1-pentylpyrazole-4-carbonitrile?
5-amino-3-[(2-methoxyphenyl)methoxy]-1-pentylpyrazole-4-carbonitrile has a molecular weight of 314.39 g/mol, XLogP of 3.11, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-[(2-methoxyphenyl)methoxy]-1-pentylpyrazole-4-carbonitrile is sourced from PubChem (CID 100763543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).