3,5-dimethyl-N-[1-(4-phenoxyphenyl)butyl]-1-propan-2-ylpyrazol-4-amine

C24H31N3O — CID 166338722

IUPAC3,5-dimethyl-N-[1-(4-phenoxyphenyl)butyl]-1-propan-2-ylpyrazol-4-amine
SMILESCCCC(Nc1c(C)nn(C(C)C)c1C)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C24H31N3O/c1-6-10-23(25-24-18(4)26-27(17(2)3)19(24)5)20-13-15-22(16-14-20)28-21-11-8-7-9-12-21/h7-9,11-17,23,25H,6,10H2,1-5H3
InChIKeyJJEQBCYMGNVRFG-UHFFFAOYSA-N
MW377.53 g/mol
LogP6.83
Rot. Bonds8

About 3,5-dimethyl-N-[1-(4-phenoxyphenyl)butyl]-1-propan-2-ylpyrazol-4-amine

3,5-dimethyl-N-[1-(4-phenoxyphenyl)butyl]-1-propan-2-ylpyrazol-4-amine (PubChem CID 166338722) has the molecular formula C24H31N3O and a molecular weight of 377.53 g/mol. Its IUPAC name is 3,5-dimethyl-N-[1-(4-phenoxyphenyl)butyl]-1-propan-2-ylpyrazol-4-amine.

Molecular Properties

Compound Name3,5-dimethyl-N-[1-(4-phenoxyphenyl)butyl]-1-propan-2-ylpyrazol-4-amine
PubChem CID166338722
Molecular FormulaC24H31N3O
Molecular Weight377.53 g/mol
Exact Mass377.25
IUPAC Name3,5-dimethyl-N-[1-(4-phenoxyphenyl)butyl]-1-propan-2-ylpyrazol-4-amine
SMILESCCCC(Nc1c(C)nn(C(C)C)c1C)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C24H31N3O/c1-6-10-23(25-24-18(4)26-27(17(2)3)19(24)5)20-13-15-22(16-14-20)28-21-11-8-7-9-12-21/h7-9,11-17,23,25H,6,10H2,1-5H3
InChIKeyJJEQBCYMGNVRFG-UHFFFAOYSA-N
XLogP6.83
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.53
LogP ≤ 56.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,3,5-trimethyl-N-[1-(4-phenoxyphenyl)butyl]pyrazol-4-amine
CID 166338702
N-methyl-1-(4-phenoxyphenyl)butan-1-amine
CID 19069357
(1R)-N-methyl-1-(4-phenoxyphenyl)butan-1-amine
CID 54006451
N-[1-(4-chlorophenyl)butyl]-4-phenoxyaniline
CID 4712113
N-[2-(5-methyltetrazol-2-yl)ethyl]-1-(4-phenoxyphenyl)butan-1-amine
CID 166383130
N-[1-(3-bromophenyl)propyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine
CID 60932836
N-[1-(3-fluorophenyl)propyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine
CID 114871423
N-[2-(1,4-dimethylpyrazol-3-yl)ethyl]-1-(4-phenoxyphenyl)butan-1-amine
CID 166338655
1-(4-phenoxyphenyl)-N-(3-pyrazol-1-ylpropyl)butan-1-amine
CID 166338628
N-[1-(4-phenoxyphenyl)butyl]-1-pyridin-2-ylpyrazol-4-amine
CID 166338665
N-[(4-bromo-1-methylpyrazol-3-yl)methyl]-1-(4-phenoxyphenyl)butan-1-amine
CID 167829497
N-[1-(4-fluorophenyl)ethyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine
CID 60931206

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[1-(4-phenoxyphenyl)butyl]-1-propan-2-ylpyrazol-4-amine?
The IUPAC name of 3,5-dimethyl-N-[1-(4-phenoxyphenyl)butyl]-1-propan-2-ylpyrazol-4-amine (CID 166338722) is 3,5-dimethyl-N-[1-(4-phenoxyphenyl)butyl]-1-propan-2-ylpyrazol-4-amine.
What is the SMILES notation for 3,5-dimethyl-N-[1-(4-phenoxyphenyl)butyl]-1-propan-2-ylpyrazol-4-amine?
The canonical SMILES for 3,5-dimethyl-N-[1-(4-phenoxyphenyl)butyl]-1-propan-2-ylpyrazol-4-amine is CCCC(Nc1c(C)nn(C(C)C)c1C)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 3,5-dimethyl-N-[1-(4-phenoxyphenyl)butyl]-1-propan-2-ylpyrazol-4-amine?
The InChIKey is JJEQBCYMGNVRFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O/c1-6-10-23(25-24-18(4)26-27(17(2)3)19(24)5)20-13-15-22(16-14-20)28-21-11-8-7-9-12-21/h7-9,11-17,23,25H,6,10H2,1-5H3.
What are the key properties of 3,5-dimethyl-N-[1-(4-phenoxyphenyl)butyl]-1-propan-2-ylpyrazol-4-amine?
3,5-dimethyl-N-[1-(4-phenoxyphenyl)butyl]-1-propan-2-ylpyrazol-4-amine has a molecular weight of 377.53 g/mol, XLogP of 6.83, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[1-(4-phenoxyphenyl)butyl]-1-propan-2-ylpyrazol-4-amine is sourced from PubChem (CID 166338722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).