N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-hydroxy-1-phenylpyrazole-3-carboxamide

C19H23N3O2 — CID 112798191

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-hydroxy-1-phenylpyrazole-3-carboxamide
SMILESCC(NC(=O)c1nn(-c2ccccc2)cc1O)C1CC2CCC1C2
InChIInChI=1S/C19H23N3O2/c1-12(16-10-13-7-8-14(16)9-13)20-19(24)18-17(23)11-22(21-18)15-5-3-2-4-6-15/h2-6,11-14,16,23H,7-10H2,1H3,(H,20,24)
InChIKeyPEMSXEZPDIAEMW-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.13
Rot. Bonds4

About N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-hydroxy-1-phenylpyrazole-3-carboxamide

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-hydroxy-1-phenylpyrazole-3-carboxamide (PubChem CID 112798191) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-hydroxy-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-hydroxy-1-phenylpyrazole-3-carboxamide
PubChem CID112798191
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-hydroxy-1-phenylpyrazole-3-carboxamide
SMILESCC(NC(=O)c1nn(-c2ccccc2)cc1O)C1CC2CCC1C2
InChIInChI=1S/C19H23N3O2/c1-12(16-10-13-7-8-14(16)9-13)20-19(24)18-17(23)11-22(21-18)15-5-3-2-4-6-15/h2-6,11-14,16,23H,7-10H2,1H3,(H,20,24)
InChIKeyPEMSXEZPDIAEMW-UHFFFAOYSA-N
XLogP3.13
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1,3-diphenylpyrazole-4-carboxamide
CID 98284311
N'-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]-4-hydroxy-1-phenylpyrazole-3-carbohydrazide
CID 51186275
N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 98750977
N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1,3-diphenylpyrazole-5-carboxamide
CID 98297174
N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1,3-diphenylpyrazole-5-carboxamide
CID 98297172
N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-4-iodo-1-methylpyrazole-3-carboxamide
CID 98334021
N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-(2-fluorophenyl)pyrazole-3-carboxamide
CID 98774835
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-pyrrol-1-ylbenzamide
CID 98785559
N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2-phenyltriazol-4-yl)acetamide
CID 98785968
1-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-phenylurea
CID 98258446
phenyl N-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]carbamate
CID 98080564
N-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-4-bromo-1-ethylpyrazole-3-carboxamide
CID 98224369

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-hydroxy-1-phenylpyrazole-3-carboxamide?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-hydroxy-1-phenylpyrazole-3-carboxamide (CID 112798191) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-hydroxy-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-hydroxy-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-hydroxy-1-phenylpyrazole-3-carboxamide is CC(NC(=O)c1nn(-c2ccccc2)cc1O)C1CC2CCC1C2.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-hydroxy-1-phenylpyrazole-3-carboxamide?
The InChIKey is PEMSXEZPDIAEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-12(16-10-13-7-8-14(16)9-13)20-19(24)18-17(23)11-22(21-18)15-5-3-2-4-6-15/h2-6,11-14,16,23H,7-10H2,1H3,(H,20,24).
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-hydroxy-1-phenylpyrazole-3-carboxamide?
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-hydroxy-1-phenylpyrazole-3-carboxamide has a molecular weight of 325.41 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-hydroxy-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 112798191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).