5-ethyl-N-(2-hydroxy-3-phenylpropyl)-1-phenylpyrazole-4-carboxamide

C21H23N3O2 — CID 111102770

IUPAC5-ethyl-N-(2-hydroxy-3-phenylpropyl)-1-phenylpyrazole-4-carboxamide
SMILESCCc1c(C(=O)NCC(O)Cc2ccccc2)cnn1-c1ccccc1
InChIInChI=1S/C21H23N3O2/c1-2-20-19(15-23-24(20)17-11-7-4-8-12-17)21(26)22-14-18(25)13-16-9-5-3-6-10-16/h3-12,15,18,25H,2,13-14H2,1H3,(H,22,26)
InChIKeyRVJOJRMICVRDIK-UHFFFAOYSA-N
MW349.43 g/mol
LogP2.77
Rot. Bonds7

About 5-ethyl-N-(2-hydroxy-3-phenylpropyl)-1-phenylpyrazole-4-carboxamide

5-ethyl-N-(2-hydroxy-3-phenylpropyl)-1-phenylpyrazole-4-carboxamide (PubChem CID 111102770) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 5-ethyl-N-(2-hydroxy-3-phenylpropyl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-(2-hydroxy-3-phenylpropyl)-1-phenylpyrazole-4-carboxamide
PubChem CID111102770
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name5-ethyl-N-(2-hydroxy-3-phenylpropyl)-1-phenylpyrazole-4-carboxamide
SMILESCCc1c(C(=O)NCC(O)Cc2ccccc2)cnn1-c1ccccc1
InChIInChI=1S/C21H23N3O2/c1-2-20-19(15-23-24(20)17-11-7-4-8-12-17)21(26)22-14-18(25)13-16-9-5-3-6-10-16/h3-12,15,18,25H,2,13-14H2,1H3,(H,22,26)
InChIKeyRVJOJRMICVRDIK-UHFFFAOYSA-N
XLogP2.77
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-N-(2-methylsulfonylethyl)-1-phenylpyrazole-4-carboxamide
CID 60545454
5-ethyl-1-phenyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]pyrazole-4-carboxamide
CID 46577228
5-ethyl-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1-phenylpyrazole-4-carboxamide
CID 111436240
2-benzyl-3-[(1-benzyl-5-ethylpyrazole-4-carbonyl)amino]propanoic acid
CID 120525129
2-[[[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]amino]methyl]-4-methylpentanoic acid
CID 119252730
N-[2-(diethylamino)-3-phenylpropyl]-5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazole-4-carboxamide
CID 46482900
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-ethyl-1-phenylpyrazole-4-carboxamide
CID 55569850
N-[2-(3,4-diethoxyphenyl)ethyl]-5-ethyl-1-phenylpyrazole-4-carboxamide
CID 46577690
N-(3,4-dimethylphenyl)-5-ethyl-1-phenylpyrazole-4-carboxamide
CID 46577913
5-ethyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-1-phenylpyrazole-4-carboxamide
CID 32588419
2-bromo-N-(2-hydroxy-3-phenylpropyl)benzamide
CID 56765281
N'-benzoyl-5-ethyl-1-(4-methylphenyl)pyrazole-4-carbohydrazide
CID 46582435

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(2-hydroxy-3-phenylpropyl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 5-ethyl-N-(2-hydroxy-3-phenylpropyl)-1-phenylpyrazole-4-carboxamide (CID 111102770) is 5-ethyl-N-(2-hydroxy-3-phenylpropyl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 5-ethyl-N-(2-hydroxy-3-phenylpropyl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 5-ethyl-N-(2-hydroxy-3-phenylpropyl)-1-phenylpyrazole-4-carboxamide is CCc1c(C(=O)NCC(O)Cc2ccccc2)cnn1-c1ccccc1.
What is the InChIKey of 5-ethyl-N-(2-hydroxy-3-phenylpropyl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is RVJOJRMICVRDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-2-20-19(15-23-24(20)17-11-7-4-8-12-17)21(26)22-14-18(25)13-16-9-5-3-6-10-16/h3-12,15,18,25H,2,13-14H2,1H3,(H,22,26).
What are the key properties of 5-ethyl-N-(2-hydroxy-3-phenylpropyl)-1-phenylpyrazole-4-carboxamide?
5-ethyl-N-(2-hydroxy-3-phenylpropyl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 349.43 g/mol, XLogP of 2.77, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(2-hydroxy-3-phenylpropyl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 111102770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).