N-ethyl-3-[(3R)-1-(2-hydroxybenzoyl)piperidin-3-yl]-1-phenylpyrazole-4-carboxamide

C24H26N4O3 — CID 129323745

IUPACN-ethyl-3-[(3R)-1-(2-hydroxybenzoyl)piperidin-3-yl]-1-phenylpyrazole-4-carboxamide
SMILESCCNC(=O)c1cn(-c2ccccc2)nc1[C@@H]1CCCN(C(=O)c2ccccc2O)C1
InChIInChI=1S/C24H26N4O3/c1-2-25-23(30)20-16-28(18-10-4-3-5-11-18)26-22(20)17-9-8-14-27(15-17)24(31)19-12-6-7-13-21(19)29/h3-7,10-13,16-17,29H,2,8-9,14-15H2,1H3,(H,25,30)/t17-/m1/s1
InChIKeyDVMRGNGAJOWEBU-QGZVFWFLSA-N
MW418.50 g/mol
LogP3.35
Rot. Bonds5

About N-ethyl-3-[(3R)-1-(2-hydroxybenzoyl)piperidin-3-yl]-1-phenylpyrazole-4-carboxamide

N-ethyl-3-[(3R)-1-(2-hydroxybenzoyl)piperidin-3-yl]-1-phenylpyrazole-4-carboxamide (PubChem CID 129323745) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is N-ethyl-3-[(3R)-1-(2-hydroxybenzoyl)piperidin-3-yl]-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-3-[(3R)-1-(2-hydroxybenzoyl)piperidin-3-yl]-1-phenylpyrazole-4-carboxamide
PubChem CID129323745
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC NameN-ethyl-3-[(3R)-1-(2-hydroxybenzoyl)piperidin-3-yl]-1-phenylpyrazole-4-carboxamide
SMILESCCNC(=O)c1cn(-c2ccccc2)nc1[C@@H]1CCCN(C(=O)c2ccccc2O)C1
InChIInChI=1S/C24H26N4O3/c1-2-25-23(30)20-16-28(18-10-4-3-5-11-18)26-22(20)17-9-8-14-27(15-17)24(31)19-12-6-7-13-21(19)29/h3-7,10-13,16-17,29H,2,8-9,14-15H2,1H3,(H,25,30)/t17-/m1/s1
InChIKeyDVMRGNGAJOWEBU-QGZVFWFLSA-N
XLogP3.35
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3S)-1-(3-aminopyrazine-2-carbonyl)piperidin-3-yl]-N-ethyl-1-phenylpyrazole-4-carboxamide
CID 129323530
N-ethyl-1-phenyl-3-[(3R)-1-(pyrimidin-5-ylmethyl)piperidin-3-yl]pyrazole-4-carboxamide
CID 129324409
N-ethyl-3-[(3S)-1-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-1-phenylpyrazole-4-carboxamide
CID 137222258
3-(4-carbamoyl-1-phenylpyrazol-3-yl)-N-propan-2-ylpiperidine-1-carboxamide
CID 167920055
3-[1-(2-fluoro-2-methylpropanoyl)piperidin-3-yl]-1-phenylpyrazole-4-carboxamide
CID 128989170
3-(4-carbamoyl-1-phenylpyrazol-3-yl)-N-[(3-hydroxyphenyl)methyl]piperidine-1-carboxamide
CID 128993642
3-[1-(5-methylsulfanylfuran-2-carbonyl)piperidin-3-yl]-1-phenylpyrazole-4-carboxamide
CID 128991468
(2-hydroxyphenyl)-(3-methylpiperidin-1-yl)methanone
CID 43176525
3-[(3R)-1-(2-anilinobenzoyl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide
CID 129325046
(3-tert-butyl-1-phenylpyrazol-4-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119494042
N-ethyl-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 71131088
(3R)-1-(2-hydroxybenzoyl)piperidine-3-carboxylic acid
CID 30049767

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[(3R)-1-(2-hydroxybenzoyl)piperidin-3-yl]-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-ethyl-3-[(3R)-1-(2-hydroxybenzoyl)piperidin-3-yl]-1-phenylpyrazole-4-carboxamide (CID 129323745) is N-ethyl-3-[(3R)-1-(2-hydroxybenzoyl)piperidin-3-yl]-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-ethyl-3-[(3R)-1-(2-hydroxybenzoyl)piperidin-3-yl]-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-ethyl-3-[(3R)-1-(2-hydroxybenzoyl)piperidin-3-yl]-1-phenylpyrazole-4-carboxamide is CCNC(=O)c1cn(-c2ccccc2)nc1[C@@H]1CCCN(C(=O)c2ccccc2O)C1.
What is the InChIKey of N-ethyl-3-[(3R)-1-(2-hydroxybenzoyl)piperidin-3-yl]-1-phenylpyrazole-4-carboxamide?
The InChIKey is DVMRGNGAJOWEBU-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-2-25-23(30)20-16-28(18-10-4-3-5-11-18)26-22(20)17-9-8-14-27(15-17)24(31)19-12-6-7-13-21(19)29/h3-7,10-13,16-17,29H,2,8-9,14-15H2,1H3,(H,25,30)/t17-/m1/s1.
What are the key properties of N-ethyl-3-[(3R)-1-(2-hydroxybenzoyl)piperidin-3-yl]-1-phenylpyrazole-4-carboxamide?
N-ethyl-3-[(3R)-1-(2-hydroxybenzoyl)piperidin-3-yl]-1-phenylpyrazole-4-carboxamide has a molecular weight of 418.50 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[(3R)-1-(2-hydroxybenzoyl)piperidin-3-yl]-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 129323745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).