5-[3-[(2S)-1-(1H-imidazol-5-yl)-3-methylbutan-2-yl]-4-methoxyphenyl]-1-methylpyrazole

C19H24N4O — CID 70233158

IUPAC5-[3-[(2S)-1-(1H-imidazol-5-yl)-3-methylbutan-2-yl]-4-methoxyphenyl]-1-methylpyrazole
SMILESCOc1ccc(-c2ccnn2C)cc1[C@@H](Cc1cnc[nH]1)C(C)C
InChIInChI=1S/C19H24N4O/c1-13(2)16(10-15-11-20-12-21-15)17-9-14(5-6-19(17)24-4)18-7-8-22-23(18)3/h5-9,11-13,16H,10H2,1-4H3,(H,20,21)/t16-/m0/s1
InChIKeyHPFUWOSXBDAMMN-INIZCTEOSA-N
MW324.43 g/mol
LogP3.80
Rot. Bonds6

About 5-[3-[(2S)-1-(1H-imidazol-5-yl)-3-methylbutan-2-yl]-4-methoxyphenyl]-1-methylpyrazole

5-[3-[(2S)-1-(1H-imidazol-5-yl)-3-methylbutan-2-yl]-4-methoxyphenyl]-1-methylpyrazole (PubChem CID 70233158) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 5-[3-[(2S)-1-(1H-imidazol-5-yl)-3-methylbutan-2-yl]-4-methoxyphenyl]-1-methylpyrazole.

Molecular Properties

Compound Name5-[3-[(2S)-1-(1H-imidazol-5-yl)-3-methylbutan-2-yl]-4-methoxyphenyl]-1-methylpyrazole
PubChem CID70233158
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name5-[3-[(2S)-1-(1H-imidazol-5-yl)-3-methylbutan-2-yl]-4-methoxyphenyl]-1-methylpyrazole
SMILESCOc1ccc(-c2ccnn2C)cc1[C@@H](Cc1cnc[nH]1)C(C)C
InChIInChI=1S/C19H24N4O/c1-13(2)16(10-15-11-20-12-21-15)17-9-14(5-6-19(17)24-4)18-7-8-22-23(18)3/h5-9,11-13,16H,10H2,1-4H3,(H,20,21)/t16-/m0/s1
InChIKeyHPFUWOSXBDAMMN-INIZCTEOSA-N
XLogP3.80
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[(2S)-1-(1H-imidazol-5-yl)-3-methylbutan-2-yl]-4-methoxyphenyl]-1-methylpyrazole?
The IUPAC name of 5-[3-[(2S)-1-(1H-imidazol-5-yl)-3-methylbutan-2-yl]-4-methoxyphenyl]-1-methylpyrazole (CID 70233158) is 5-[3-[(2S)-1-(1H-imidazol-5-yl)-3-methylbutan-2-yl]-4-methoxyphenyl]-1-methylpyrazole.
What is the SMILES notation for 5-[3-[(2S)-1-(1H-imidazol-5-yl)-3-methylbutan-2-yl]-4-methoxyphenyl]-1-methylpyrazole?
The canonical SMILES for 5-[3-[(2S)-1-(1H-imidazol-5-yl)-3-methylbutan-2-yl]-4-methoxyphenyl]-1-methylpyrazole is COc1ccc(-c2ccnn2C)cc1[C@@H](Cc1cnc[nH]1)C(C)C.
What is the InChIKey of 5-[3-[(2S)-1-(1H-imidazol-5-yl)-3-methylbutan-2-yl]-4-methoxyphenyl]-1-methylpyrazole?
The InChIKey is HPFUWOSXBDAMMN-INIZCTEOSA-N. The full InChI is InChI=1S/C19H24N4O/c1-13(2)16(10-15-11-20-12-21-15)17-9-14(5-6-19(17)24-4)18-7-8-22-23(18)3/h5-9,11-13,16H,10H2,1-4H3,(H,20,21)/t16-/m0/s1.
What are the key properties of 5-[3-[(2S)-1-(1H-imidazol-5-yl)-3-methylbutan-2-yl]-4-methoxyphenyl]-1-methylpyrazole?
5-[3-[(2S)-1-(1H-imidazol-5-yl)-3-methylbutan-2-yl]-4-methoxyphenyl]-1-methylpyrazole has a molecular weight of 324.43 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(2S)-1-(1H-imidazol-5-yl)-3-methylbutan-2-yl]-4-methoxyphenyl]-1-methylpyrazole is sourced from PubChem (CID 70233158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).