3,5-dimethyl-1-[3-[1-(oxan-4-yl)imidazol-2-yl]phenyl]pyrazole;formic acid

C20H24N4O3 — CID 163333857

IUPAC3,5-dimethyl-1-[3-[1-(oxan-4-yl)imidazol-2-yl]phenyl]pyrazole;formic acid
SMILESCc1cc(C)n(-c2cccc(-c3nccn3C3CCOCC3)c2)n1.O=CO
InChIInChI=1S/C19H22N4O.CH2O2/c1-14-12-15(2)23(21-14)18-5-3-4-16(13-18)19-20-8-9-22(19)17-6-10-24-11-7-17;2-1-3/h3-5,8-9,12-13,17H,6-7,10-11H2,1-2H3;1H,(H,2,3)
InChIKeyIPITTYUJMAAHPW-UHFFFAOYSA-N
MW368.44 g/mol
LogP3.40
Rot. Bonds3

About 3,5-dimethyl-1-[3-[1-(oxan-4-yl)imidazol-2-yl]phenyl]pyrazole;formic acid

3,5-dimethyl-1-[3-[1-(oxan-4-yl)imidazol-2-yl]phenyl]pyrazole;formic acid (PubChem CID 163333857) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 3,5-dimethyl-1-[3-[1-(oxan-4-yl)imidazol-2-yl]phenyl]pyrazole;formic acid.

Molecular Properties

Compound Name3,5-dimethyl-1-[3-[1-(oxan-4-yl)imidazol-2-yl]phenyl]pyrazole;formic acid
PubChem CID163333857
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name3,5-dimethyl-1-[3-[1-(oxan-4-yl)imidazol-2-yl]phenyl]pyrazole;formic acid
SMILESCc1cc(C)n(-c2cccc(-c3nccn3C3CCOCC3)c2)n1.O=CO
InChIInChI=1S/C19H22N4O.CH2O2/c1-14-12-15(2)23(21-14)18-5-3-4-16(13-18)19-20-8-9-22(19)17-6-10-24-11-7-17;2-1-3/h3-5,8-9,12-13,17H,6-7,10-11H2,1-2H3;1H,(H,2,3)
InChIKeyIPITTYUJMAAHPW-UHFFFAOYSA-N
XLogP3.40
TPSA82.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

acetic acid;4-[2-[3-(3,5-dimethylpyrazol-1-yl)phenyl]imidazol-1-yl]-1-propylpyrrolidin-2-one
CID 155971822
N-ethyl-N-[[2-methoxy-5-[1-(oxan-4-yl)imidazol-2-yl]phenyl]methyl]ethanamine;formic acid
CID 163335096
formic acid;methyl 4-[1-(oxan-4-yl)imidazol-2-yl]benzoate
CID 154919892
formic acid;1-(oxolan-3-yl)-2-[3-(pyrazol-1-ylmethyl)phenyl]imidazole
CID 163333896
formic acid;2-[[4-[1-(oxan-4-yl)imidazol-2-yl]phenoxy]methyl]pyridine
CID 154923864
N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-4-(oxan-4-yl)piperazine-1-carboxamide
CID 126773025
1-cyclopropyl-3-(3,5-dimethylpyrazol-1-yl)pyrazin-2-one
CID 63811320
N,N-dimethyl-1-[(3R,4S)-4-[2-(3-pyrazol-1-ylphenyl)imidazol-1-yl]oxolan-3-yl]methanesulfonamide;formic acid
CID 171330235
2-(4-cyclopentyloxyphenyl)-1-(oxolan-3-yl)imidazole;formic acid
CID 155940361
1-[3-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)imidazol-2-yl]phenyl]-N,N-dimethylmethanamine
CID 154821862
3-(3,5-dimethylpyrazol-1-yl)benzaldehyde;hydrochloride
CID 46735947
2-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-1-(oxan-4-yl)imidazole
CID 154566107

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-[3-[1-(oxan-4-yl)imidazol-2-yl]phenyl]pyrazole;formic acid?
The IUPAC name of 3,5-dimethyl-1-[3-[1-(oxan-4-yl)imidazol-2-yl]phenyl]pyrazole;formic acid (CID 163333857) is 3,5-dimethyl-1-[3-[1-(oxan-4-yl)imidazol-2-yl]phenyl]pyrazole;formic acid.
What is the SMILES notation for 3,5-dimethyl-1-[3-[1-(oxan-4-yl)imidazol-2-yl]phenyl]pyrazole;formic acid?
The canonical SMILES for 3,5-dimethyl-1-[3-[1-(oxan-4-yl)imidazol-2-yl]phenyl]pyrazole;formic acid is Cc1cc(C)n(-c2cccc(-c3nccn3C3CCOCC3)c2)n1.O=CO.
What is the InChIKey of 3,5-dimethyl-1-[3-[1-(oxan-4-yl)imidazol-2-yl]phenyl]pyrazole;formic acid?
The InChIKey is IPITTYUJMAAHPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O.CH2O2/c1-14-12-15(2)23(21-14)18-5-3-4-16(13-18)19-20-8-9-22(19)17-6-10-24-11-7-17;2-1-3/h3-5,8-9,12-13,17H,6-7,10-11H2,1-2H3;1H,(H,2,3).
What are the key properties of 3,5-dimethyl-1-[3-[1-(oxan-4-yl)imidazol-2-yl]phenyl]pyrazole;formic acid?
3,5-dimethyl-1-[3-[1-(oxan-4-yl)imidazol-2-yl]phenyl]pyrazole;formic acid has a molecular weight of 368.44 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-[3-[1-(oxan-4-yl)imidazol-2-yl]phenyl]pyrazole;formic acid is sourced from PubChem (CID 163333857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).