1-ethyl-N-[(4-pentoxyphenyl)methyl]pyrazol-4-amine

C17H25N3O — CID 43543348

IUPAC1-ethyl-N-[(4-pentoxyphenyl)methyl]pyrazol-4-amine
SMILESCCCCCOc1ccc(CNc2cnn(CC)c2)cc1
InChIInChI=1S/C17H25N3O/c1-3-5-6-11-21-17-9-7-15(8-10-17)12-18-16-13-19-20(4-2)14-16/h7-10,13-14,18H,3-6,11-12H2,1-2H3
InChIKeyWJAFHVDFGBVYQN-UHFFFAOYSA-N
MW287.41 g/mol
LogP4.08
Rot. Bonds9

About 1-ethyl-N-[(4-pentoxyphenyl)methyl]pyrazol-4-amine

1-ethyl-N-[(4-pentoxyphenyl)methyl]pyrazol-4-amine (PubChem CID 43543348) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 1-ethyl-N-[(4-pentoxyphenyl)methyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-ethyl-N-[(4-pentoxyphenyl)methyl]pyrazol-4-amine
PubChem CID43543348
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name1-ethyl-N-[(4-pentoxyphenyl)methyl]pyrazol-4-amine
SMILESCCCCCOc1ccc(CNc2cnn(CC)c2)cc1
InChIInChI=1S/C17H25N3O/c1-3-5-6-11-21-17-9-7-15(8-10-17)12-18-16-13-19-20(4-2)14-16/h7-10,13-14,18H,3-6,11-12H2,1-2H3
InChIKeyWJAFHVDFGBVYQN-UHFFFAOYSA-N
XLogP4.08
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-N-[(4-propoxyphenyl)methyl]pyrazol-4-amine
CID 43543347
N-[(4-ethoxyphenyl)methyl]-1-ethylpyrazol-4-amine;hydrochloride
CID 126966280
N-[(4-butoxyphenyl)methyl]-4-hexoxyaniline
CID 54798833
4-heptoxy-N-[(4-heptoxyphenyl)methyl]aniline
CID 54799653
4-[[(1-ethylpyrazol-4-yl)amino]methyl]phenol
CID 19627559
N-[[4-[2,4,4,6,6,8,8-heptakis[4-[(4-heptoxyanilino)methyl]phenyl]-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraen-2-yl]phenyl]methyl]-4-heptoxyaniline
CID 101021664
1-ethyl-4-hexoxypyrazole
CID 116804751
4-iodo-N-[(4-pentoxyphenyl)methyl]aniline
CID 28975665
4-fluoro-N-[(4-heptoxyphenyl)methyl]aniline
CID 54796471
N-[(4-pentoxyphenyl)methyl]-4-propan-2-yloxyaniline
CID 54799858
N-[(4-chlorophenyl)methyl]-4-heptoxyaniline
CID 54799311
3,4-dichloro-N-[(4-hexoxyphenyl)methyl]aniline
CID 54796910

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(4-pentoxyphenyl)methyl]pyrazol-4-amine?
The IUPAC name of 1-ethyl-N-[(4-pentoxyphenyl)methyl]pyrazol-4-amine (CID 43543348) is 1-ethyl-N-[(4-pentoxyphenyl)methyl]pyrazol-4-amine.
What is the SMILES notation for 1-ethyl-N-[(4-pentoxyphenyl)methyl]pyrazol-4-amine?
The canonical SMILES for 1-ethyl-N-[(4-pentoxyphenyl)methyl]pyrazol-4-amine is CCCCCOc1ccc(CNc2cnn(CC)c2)cc1.
What is the InChIKey of 1-ethyl-N-[(4-pentoxyphenyl)methyl]pyrazol-4-amine?
The InChIKey is WJAFHVDFGBVYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-3-5-6-11-21-17-9-7-15(8-10-17)12-18-16-13-19-20(4-2)14-16/h7-10,13-14,18H,3-6,11-12H2,1-2H3.
What are the key properties of 1-ethyl-N-[(4-pentoxyphenyl)methyl]pyrazol-4-amine?
1-ethyl-N-[(4-pentoxyphenyl)methyl]pyrazol-4-amine has a molecular weight of 287.41 g/mol, XLogP of 4.08, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(4-pentoxyphenyl)methyl]pyrazol-4-amine is sourced from PubChem (CID 43543348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).