1-[1-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]piperidin-4-yl]imidazolidin-2-one

C26H31N5O — CID 112840896

IUPAC1-[1-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]piperidin-4-yl]imidazolidin-2-one
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2CN2CCC(N3CCNC3=O)CC2)cc1C
InChIInChI=1S/C26H31N5O/c1-19-8-9-21(16-20(19)2)25-22(18-31(28-25)24-6-4-3-5-7-24)17-29-13-10-23(11-14-29)30-15-12-27-26(30)32/h3-9,16,18,23H,10-15,17H2,1-2H3,(H,27,32)
InChIKeyQTHGDGQDRVNBHN-UHFFFAOYSA-N
MW429.57 g/mol
LogP4.15
Rot. Bonds5

About 1-[1-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]piperidin-4-yl]imidazolidin-2-one

1-[1-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]piperidin-4-yl]imidazolidin-2-one (PubChem CID 112840896) has the molecular formula C26H31N5O and a molecular weight of 429.57 g/mol. Its IUPAC name is 1-[1-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]piperidin-4-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[1-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]piperidin-4-yl]imidazolidin-2-one
PubChem CID112840896
Molecular FormulaC26H31N5O
Molecular Weight429.57 g/mol
Exact Mass429.25
IUPAC Name1-[1-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]piperidin-4-yl]imidazolidin-2-one
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2CN2CCC(N3CCNC3=O)CC2)cc1C
InChIInChI=1S/C26H31N5O/c1-19-8-9-21(16-20(19)2)25-22(18-31(28-25)24-6-4-3-5-7-24)17-29-13-10-23(11-14-29)30-15-12-27-26(30)32/h3-9,16,18,23H,10-15,17H2,1-2H3,(H,27,32)
InChIKeyQTHGDGQDRVNBHN-UHFFFAOYSA-N
XLogP4.15
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.57
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]piperidine-3-carboxamide
CID 112796807
1-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N,N-dimethylpiperidin-4-amine
CID 112840561
2-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methylsulfanyl]acetic acid
CID 34881763
1-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]piperidin-4-ol
CID 25486900
N-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]-N-methyl-6-oxo-1H-pyridine-3-carboxamide
CID 41277650
3-(3,4-dimethylphenyl)-1-phenyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide
CID 126772957
N,N-diethyl-1-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperidine-4-carboxamide
CID 42473482
(3R)-1-[(1,3-diphenylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide
CID 94163079
1-[4-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]piperazin-1-yl]ethanone
CID 31310608
(3S)-1-[(1,3-diphenylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide
CID 94163078
3,3-dimethyl-1-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]piperidin-4-amine
CID 120782167
1-[(1,3-diphenylpyrazol-4-yl)methyl]-4-(pyridin-2-ylmethyl)piperazine
CID 16576279

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]piperidin-4-yl]imidazolidin-2-one?
The IUPAC name of 1-[1-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]piperidin-4-yl]imidazolidin-2-one (CID 112840896) is 1-[1-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]piperidin-4-yl]imidazolidin-2-one.
What is the SMILES notation for 1-[1-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]piperidin-4-yl]imidazolidin-2-one?
The canonical SMILES for 1-[1-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]piperidin-4-yl]imidazolidin-2-one is Cc1ccc(-c2nn(-c3ccccc3)cc2CN2CCC(N3CCNC3=O)CC2)cc1C.
What is the InChIKey of 1-[1-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]piperidin-4-yl]imidazolidin-2-one?
The InChIKey is QTHGDGQDRVNBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O/c1-19-8-9-21(16-20(19)2)25-22(18-31(28-25)24-6-4-3-5-7-24)17-29-13-10-23(11-14-29)30-15-12-27-26(30)32/h3-9,16,18,23H,10-15,17H2,1-2H3,(H,27,32).
What are the key properties of 1-[1-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]piperidin-4-yl]imidazolidin-2-one?
1-[1-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]piperidin-4-yl]imidazolidin-2-one has a molecular weight of 429.57 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]piperidin-4-yl]imidazolidin-2-one is sourced from PubChem (CID 112840896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).