4-(cyclohexen-1-yl)-1-[(4-methoxyphenyl)methyl]-3-phenylpyrazol-5-amine

C23H25N3O — CID 134307558

IUPAC4-(cyclohexen-1-yl)-1-[(4-methoxyphenyl)methyl]-3-phenylpyrazol-5-amine
SMILESCOc1ccc(Cn2nc(-c3ccccc3)c(C3=CCCCC3)c2N)cc1
InChIInChI=1S/C23H25N3O/c1-27-20-14-12-17(13-15-20)16-26-23(24)21(18-8-4-2-5-9-18)22(25-26)19-10-6-3-7-11-19/h3,6-8,10-15H,2,4-5,9,16,24H2,1H3
InChIKeyQJWDUAZRYYRXTB-UHFFFAOYSA-N
MW359.47 g/mol
LogP5.15
Rot. Bonds5

About 4-(cyclohexen-1-yl)-1-[(4-methoxyphenyl)methyl]-3-phenylpyrazol-5-amine

4-(cyclohexen-1-yl)-1-[(4-methoxyphenyl)methyl]-3-phenylpyrazol-5-amine (PubChem CID 134307558) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is 4-(cyclohexen-1-yl)-1-[(4-methoxyphenyl)methyl]-3-phenylpyrazol-5-amine.

Molecular Properties

Compound Name4-(cyclohexen-1-yl)-1-[(4-methoxyphenyl)methyl]-3-phenylpyrazol-5-amine
PubChem CID134307558
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC Name4-(cyclohexen-1-yl)-1-[(4-methoxyphenyl)methyl]-3-phenylpyrazol-5-amine
SMILESCOc1ccc(Cn2nc(-c3ccccc3)c(C3=CCCCC3)c2N)cc1
InChIInChI=1S/C23H25N3O/c1-27-20-14-12-17(13-15-20)16-26-23(24)21(18-8-4-2-5-9-18)22(25-26)19-10-6-3-7-11-19/h3,6-8,10-15H,2,4-5,9,16,24H2,1H3
InChIKeyQJWDUAZRYYRXTB-UHFFFAOYSA-N
XLogP5.15
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.47
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexen-1-yl)-1-[(4-methoxyphenyl)methyl]-3-phenylpyrazol-5-amine?
The IUPAC name of 4-(cyclohexen-1-yl)-1-[(4-methoxyphenyl)methyl]-3-phenylpyrazol-5-amine (CID 134307558) is 4-(cyclohexen-1-yl)-1-[(4-methoxyphenyl)methyl]-3-phenylpyrazol-5-amine.
What is the SMILES notation for 4-(cyclohexen-1-yl)-1-[(4-methoxyphenyl)methyl]-3-phenylpyrazol-5-amine?
The canonical SMILES for 4-(cyclohexen-1-yl)-1-[(4-methoxyphenyl)methyl]-3-phenylpyrazol-5-amine is COc1ccc(Cn2nc(-c3ccccc3)c(C3=CCCCC3)c2N)cc1.
What is the InChIKey of 4-(cyclohexen-1-yl)-1-[(4-methoxyphenyl)methyl]-3-phenylpyrazol-5-amine?
The InChIKey is QJWDUAZRYYRXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O/c1-27-20-14-12-17(13-15-20)16-26-23(24)21(18-8-4-2-5-9-18)22(25-26)19-10-6-3-7-11-19/h3,6-8,10-15H,2,4-5,9,16,24H2,1H3.
What are the key properties of 4-(cyclohexen-1-yl)-1-[(4-methoxyphenyl)methyl]-3-phenylpyrazol-5-amine?
4-(cyclohexen-1-yl)-1-[(4-methoxyphenyl)methyl]-3-phenylpyrazol-5-amine has a molecular weight of 359.47 g/mol, XLogP of 5.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexen-1-yl)-1-[(4-methoxyphenyl)methyl]-3-phenylpyrazol-5-amine is sourced from PubChem (CID 134307558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).