1-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide

C24H34N4O3 — CID 112800664

IUPAC1-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide
SMILESCc1nn(CC(C)C)c(C)c1CCC(=O)N1CCC(C(=O)Nc2ccccc2O)CC1
InChIInChI=1S/C24H34N4O3/c1-16(2)15-28-18(4)20(17(3)26-28)9-10-23(30)27-13-11-19(12-14-27)24(31)25-21-7-5-6-8-22(21)29/h5-8,16,19,29H,9-15H2,1-4H3,(H,25,31)
InChIKeyOOGPVLOSGWRLGM-UHFFFAOYSA-N
MW426.56 g/mol
LogP3.67
Rot. Bonds7

About 1-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide

1-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide (PubChem CID 112800664) has the molecular formula C24H34N4O3 and a molecular weight of 426.56 g/mol. Its IUPAC name is 1-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide
PubChem CID112800664
Molecular FormulaC24H34N4O3
Molecular Weight426.56 g/mol
Exact Mass426.26
IUPAC Name1-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide
SMILESCc1nn(CC(C)C)c(C)c1CCC(=O)N1CCC(C(=O)Nc2ccccc2O)CC1
InChIInChI=1S/C24H34N4O3/c1-16(2)15-28-18(4)20(17(3)26-28)9-10-23(30)27-13-11-19(12-14-27)24(31)25-21-7-5-6-8-22(21)29/h5-8,16,19,29H,9-15H2,1-4H3,(H,25,31)
InChIKeyOOGPVLOSGWRLGM-UHFFFAOYSA-N
XLogP3.67
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]piperidin-4-yl]benzenesulfonamide
CID 33163292
1-[4-(2,3-dihydroindol-1-ylmethyl)piperidin-1-yl]-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propan-1-one
CID 86936560
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propan-1-one
CID 119624181
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-1-piperazin-1-ylpropan-1-one
CID 119402581
N-(5-chloro-2-pyridinyl)-1-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]piperidine-3-carboxamide
CID 55815661
1-(4-cyclopentylpiperazin-1-yl)-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propan-1-one
CID 134020714
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]propan-1-one
CID 55427240
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-1-[(2S)-4-methyl-2-phenylpiperazin-1-yl]propan-1-one
CID 51926980
N-(3-acetamido-2-methylphenyl)-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide
CID 37067897
1-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propan-1-one
CID 46628263
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-1-[(3R)-3-(methylaminomethyl)piperidin-1-yl]propan-1-one
CID 124687726
1-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propan-1-one
CID 37322712

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide (CID 112800664) is 1-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide is Cc1nn(CC(C)C)c(C)c1CCC(=O)N1CCC(C(=O)Nc2ccccc2O)CC1.
What is the InChIKey of 1-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide?
The InChIKey is OOGPVLOSGWRLGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O3/c1-16(2)15-28-18(4)20(17(3)26-28)9-10-23(30)27-13-11-19(12-14-27)24(31)25-21-7-5-6-8-22(21)29/h5-8,16,19,29H,9-15H2,1-4H3,(H,25,31).
What are the key properties of 1-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide?
1-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide has a molecular weight of 426.56 g/mol, XLogP of 3.67, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 112800664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).