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

C15H21N3O — CID 43543347

IUPAC1-ethyl-N-[(4-propoxyphenyl)methyl]pyrazol-4-amine
SMILESCCCOc1ccc(CNc2cnn(CC)c2)cc1
InChIInChI=1S/C15H21N3O/c1-3-9-19-15-7-5-13(6-8-15)10-16-14-11-17-18(4-2)12-14/h5-8,11-12,16H,3-4,9-10H2,1-2H3
InChIKeyLFEBOXVGCMRPQB-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.30
Rot. Bonds7

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

1-ethyl-N-[(4-propoxyphenyl)methyl]pyrazol-4-amine (PubChem CID 43543347) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-ethyl-N-[(4-propoxyphenyl)methyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-ethyl-N-[(4-propoxyphenyl)methyl]pyrazol-4-amine
PubChem CID43543347
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name1-ethyl-N-[(4-propoxyphenyl)methyl]pyrazol-4-amine
SMILESCCCOc1ccc(CNc2cnn(CC)c2)cc1
InChIInChI=1S/C15H21N3O/c1-3-9-19-15-7-5-13(6-8-15)10-16-14-11-17-18(4-2)12-14/h5-8,11-12,16H,3-4,9-10H2,1-2H3
InChIKeyLFEBOXVGCMRPQB-UHFFFAOYSA-N
XLogP3.30
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-N-[(4-pentoxyphenyl)methyl]pyrazol-4-amine
CID 43543348
N-[(4-ethoxyphenyl)methyl]-1-ethylpyrazol-4-amine;hydrochloride
CID 126966280
4-[[(1-ethylpyrazol-4-yl)amino]methyl]phenol
CID 19627559
2-[4-[(4-propoxyanilino)methyl]pyrazol-1-yl]ethanol
CID 64829597
N-[(3,4-dimethoxyphenyl)methyl]-1-ethylpyrazol-4-amine
CID 19625859
1-ethyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride
CID 126964986
5-methyl-N-[(4-propoxyphenyl)methyl]pyridin-3-amine
CID 103823979
4-fluoro-N-[(4-propoxyphenyl)methyl]aniline
CID 40650179
N-[(1-ethylpyrrol-3-yl)methyl]-4-propoxyaniline
CID 66413824
2-[4-[(4-methoxy-3-propoxyphenyl)methylamino]pyrazol-1-yl]ethanol
CID 110928951
1-ethyl-N-(1H-indol-6-ylmethyl)pyrazol-4-amine
CID 102909482
1-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]pyrazol-4-amine
CID 54939751

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(4-propoxyphenyl)methyl]pyrazol-4-amine?
The IUPAC name of 1-ethyl-N-[(4-propoxyphenyl)methyl]pyrazol-4-amine (CID 43543347) is 1-ethyl-N-[(4-propoxyphenyl)methyl]pyrazol-4-amine.
What is the SMILES notation for 1-ethyl-N-[(4-propoxyphenyl)methyl]pyrazol-4-amine?
The canonical SMILES for 1-ethyl-N-[(4-propoxyphenyl)methyl]pyrazol-4-amine is CCCOc1ccc(CNc2cnn(CC)c2)cc1.
What is the InChIKey of 1-ethyl-N-[(4-propoxyphenyl)methyl]pyrazol-4-amine?
The InChIKey is LFEBOXVGCMRPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-3-9-19-15-7-5-13(6-8-15)10-16-14-11-17-18(4-2)12-14/h5-8,11-12,16H,3-4,9-10H2,1-2H3.
What are the key properties of 1-ethyl-N-[(4-propoxyphenyl)methyl]pyrazol-4-amine?
1-ethyl-N-[(4-propoxyphenyl)methyl]pyrazol-4-amine has a molecular weight of 259.35 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(4-propoxyphenyl)methyl]pyrazol-4-amine is sourced from PubChem (CID 43543347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).