1-butan-2-yl-N-[(4-ethoxyphenyl)methyl]pyrazol-3-amine

C16H23N3O — CID 122168215

IUPAC1-butan-2-yl-N-[(4-ethoxyphenyl)methyl]pyrazol-3-amine
SMILESCCOc1ccc(CNc2ccn(C(C)CC)n2)cc1
InChIInChI=1S/C16H23N3O/c1-4-13(3)19-11-10-16(18-19)17-12-14-6-8-15(9-7-14)20-5-2/h6-11,13H,4-5,12H2,1-3H3,(H,17,18)
InChIKeyJJFCLPUSJZUIHP-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.86
Rot. Bonds7

About 1-butan-2-yl-N-[(4-ethoxyphenyl)methyl]pyrazol-3-amine

1-butan-2-yl-N-[(4-ethoxyphenyl)methyl]pyrazol-3-amine (PubChem CID 122168215) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-butan-2-yl-N-[(4-ethoxyphenyl)methyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-butan-2-yl-N-[(4-ethoxyphenyl)methyl]pyrazol-3-amine
PubChem CID122168215
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name1-butan-2-yl-N-[(4-ethoxyphenyl)methyl]pyrazol-3-amine
SMILESCCOc1ccc(CNc2ccn(C(C)CC)n2)cc1
InChIInChI=1S/C16H23N3O/c1-4-13(3)19-11-10-16(18-19)17-12-14-6-8-15(9-7-14)20-5-2/h6-11,13H,4-5,12H2,1-3H3,(H,17,18)
InChIKeyJJFCLPUSJZUIHP-UHFFFAOYSA-N
XLogP3.86
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-butan-2-yl-N-[(1-methylpyrazol-3-yl)methyl]pyrazol-3-amine
CID 122166550
1-[(2S)-butan-2-yl]-N-[(2-methoxyphenyl)methyl]pyrazol-3-amine
CID 124932266
1-[(2S)-butan-2-yl]-N-butylpyrazol-3-amine
CID 124932283
1-[(2S)-butan-2-yl]-N-[[2-[(2S)-butan-2-yl]pyrazol-3-yl]methyl]pyrazol-3-amine
CID 124932272
1-[(2S)-butan-2-yl]-N-[[2-[(2R)-butan-2-yl]pyrazol-3-yl]methyl]pyrazol-3-amine
CID 124932271
1-butan-2-yl-N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]pyrazol-3-amine;hydrochloride
CID 126965762
1-[(2S)-butan-2-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazol-3-amine
CID 124932352
2-(1-butan-2-ylpyrazol-3-yl)-1-(4-ethoxyphenyl)ethanone
CID 114975551
5-chloro-N-[(4-ethoxyphenyl)methyl]pyridin-2-amine
CID 17380150
1-(difluoromethyl)-N-[(4-ethoxyphenyl)methyl]-3-methylpyrazol-4-amine
CID 122168109
3-[(4-bromophenoxy)methyl]-1-butan-2-ylpyrazole
CID 64801510
N-[(4-ethoxyphenyl)methyl]-1,3,5-trimethylpyrazol-4-amine
CID 28664320

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-N-[(4-ethoxyphenyl)methyl]pyrazol-3-amine?
The IUPAC name of 1-butan-2-yl-N-[(4-ethoxyphenyl)methyl]pyrazol-3-amine (CID 122168215) is 1-butan-2-yl-N-[(4-ethoxyphenyl)methyl]pyrazol-3-amine.
What is the SMILES notation for 1-butan-2-yl-N-[(4-ethoxyphenyl)methyl]pyrazol-3-amine?
The canonical SMILES for 1-butan-2-yl-N-[(4-ethoxyphenyl)methyl]pyrazol-3-amine is CCOc1ccc(CNc2ccn(C(C)CC)n2)cc1.
What is the InChIKey of 1-butan-2-yl-N-[(4-ethoxyphenyl)methyl]pyrazol-3-amine?
The InChIKey is JJFCLPUSJZUIHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-4-13(3)19-11-10-16(18-19)17-12-14-6-8-15(9-7-14)20-5-2/h6-11,13H,4-5,12H2,1-3H3,(H,17,18).
What are the key properties of 1-butan-2-yl-N-[(4-ethoxyphenyl)methyl]pyrazol-3-amine?
1-butan-2-yl-N-[(4-ethoxyphenyl)methyl]pyrazol-3-amine has a molecular weight of 273.38 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-N-[(4-ethoxyphenyl)methyl]pyrazol-3-amine is sourced from PubChem (CID 122168215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).