[4-[(3-tert-butyl-1-phenylpyrazol-4-yl)methylamino]phenyl]-(4-hydroxypiperidin-1-yl)methanone

C26H32N4O2 — CID 99799356

IUPAC[4-[(3-tert-butyl-1-phenylpyrazol-4-yl)methylamino]phenyl]-(4-hydroxypiperidin-1-yl)methanone
SMILESCC(C)(C)c1nn(-c2ccccc2)cc1CNc1ccc(C(=O)N2CCC(O)CC2)cc1
InChIInChI=1S/C26H32N4O2/c1-26(2,3)24-20(18-30(28-24)22-7-5-4-6-8-22)17-27-21-11-9-19(10-12-21)25(32)29-15-13-23(31)14-16-29/h4-12,18,23,27,31H,13-17H2,1-3H3
InChIKeyCDGYFICSFOPCAI-UHFFFAOYSA-N
MW432.57 g/mol
LogP4.38
Rot. Bonds5

About [4-[(3-tert-butyl-1-phenylpyrazol-4-yl)methylamino]phenyl]-(4-hydroxypiperidin-1-yl)methanone

[4-[(3-tert-butyl-1-phenylpyrazol-4-yl)methylamino]phenyl]-(4-hydroxypiperidin-1-yl)methanone (PubChem CID 99799356) has the molecular formula C26H32N4O2 and a molecular weight of 432.57 g/mol. Its IUPAC name is [4-[(3-tert-butyl-1-phenylpyrazol-4-yl)methylamino]phenyl]-(4-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-[(3-tert-butyl-1-phenylpyrazol-4-yl)methylamino]phenyl]-(4-hydroxypiperidin-1-yl)methanone
PubChem CID99799356
Molecular FormulaC26H32N4O2
Molecular Weight432.57 g/mol
Exact Mass432.25
IUPAC Name[4-[(3-tert-butyl-1-phenylpyrazol-4-yl)methylamino]phenyl]-(4-hydroxypiperidin-1-yl)methanone
SMILESCC(C)(C)c1nn(-c2ccccc2)cc1CNc1ccc(C(=O)N2CCC(O)CC2)cc1
InChIInChI=1S/C26H32N4O2/c1-26(2,3)24-20(18-30(28-24)22-7-5-4-6-8-22)17-27-21-11-9-19(10-12-21)25(32)29-15-13-23(31)14-16-29/h4-12,18,23,27,31H,13-17H2,1-3H3
InChIKeyCDGYFICSFOPCAI-UHFFFAOYSA-N
XLogP4.38
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-(4-carboxyphenyl)-4-[(4-methylanilino)methyl]pyrazol-3-yl]benzoic acid
CID 155808677
4-[4-[(4-methoxyanilino)methyl]-3-phenylpyrazol-1-yl]benzoic acid
CID 155808729
1-[4-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylamino]phenyl]butan-1-one
CID 68722952
4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-4-yl]methylamino]cyclohexane-1-carboxylic acid
CID 120509648
(4-tert-butylpiperidin-1-yl)-[4-(ethylamino)phenyl]methanone
CID 62179529
4-methyl-N-[[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methyl]aniline
CID 53474364
4-[4-[(4-phenoxyanilino)methyl]-1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]benzoic acid
CID 165416012
1-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-4-yl]methyl]piperidine-4-carboxylic acid
CID 122035616
(4-hydroxypiperidin-1-yl)-[4-[2-(2-methylphenyl)ethynyl]phenyl]methanone
CID 53338976
(3-tert-butyl-1-phenylpyrazol-4-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119494042
[4-[[3-(cyclohexylmethoxy)phenyl]methylamino]phenyl]-(4-hydroxypiperidin-1-yl)methanone
CID 99799358
[4-(cyclopentylmethylamino)phenyl]-(4-phenylpiperazin-1-yl)methanone
CID 90728867

Frequently Asked Questions

What is the IUPAC name of [4-[(3-tert-butyl-1-phenylpyrazol-4-yl)methylamino]phenyl]-(4-hydroxypiperidin-1-yl)methanone?
The IUPAC name of [4-[(3-tert-butyl-1-phenylpyrazol-4-yl)methylamino]phenyl]-(4-hydroxypiperidin-1-yl)methanone (CID 99799356) is [4-[(3-tert-butyl-1-phenylpyrazol-4-yl)methylamino]phenyl]-(4-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for [4-[(3-tert-butyl-1-phenylpyrazol-4-yl)methylamino]phenyl]-(4-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for [4-[(3-tert-butyl-1-phenylpyrazol-4-yl)methylamino]phenyl]-(4-hydroxypiperidin-1-yl)methanone is CC(C)(C)c1nn(-c2ccccc2)cc1CNc1ccc(C(=O)N2CCC(O)CC2)cc1.
What is the InChIKey of [4-[(3-tert-butyl-1-phenylpyrazol-4-yl)methylamino]phenyl]-(4-hydroxypiperidin-1-yl)methanone?
The InChIKey is CDGYFICSFOPCAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O2/c1-26(2,3)24-20(18-30(28-24)22-7-5-4-6-8-22)17-27-21-11-9-19(10-12-21)25(32)29-15-13-23(31)14-16-29/h4-12,18,23,27,31H,13-17H2,1-3H3.
What are the key properties of [4-[(3-tert-butyl-1-phenylpyrazol-4-yl)methylamino]phenyl]-(4-hydroxypiperidin-1-yl)methanone?
[4-[(3-tert-butyl-1-phenylpyrazol-4-yl)methylamino]phenyl]-(4-hydroxypiperidin-1-yl)methanone has a molecular weight of 432.57 g/mol, XLogP of 4.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-tert-butyl-1-phenylpyrazol-4-yl)methylamino]phenyl]-(4-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 99799356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).