1-ethyl-N-(2-hydroxy-3-phenylpropyl)-3-propan-2-ylpyrazole-5-carboxamide

C18H25N3O2 — CID 111102752

IUPAC1-ethyl-N-(2-hydroxy-3-phenylpropyl)-3-propan-2-ylpyrazole-5-carboxamide
SMILESCCn1nc(C(C)C)cc1C(=O)NCC(O)Cc1ccccc1
InChIInChI=1S/C18H25N3O2/c1-4-21-17(11-16(20-21)13(2)3)18(23)19-12-15(22)10-14-8-6-5-7-9-14/h5-9,11,13,15,22H,4,10,12H2,1-3H3,(H,19,23)
InChIKeyZCELXAPQGAGWRA-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.36
Rot. Bonds7

About 1-ethyl-N-(2-hydroxy-3-phenylpropyl)-3-propan-2-ylpyrazole-5-carboxamide

1-ethyl-N-(2-hydroxy-3-phenylpropyl)-3-propan-2-ylpyrazole-5-carboxamide (PubChem CID 111102752) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 1-ethyl-N-(2-hydroxy-3-phenylpropyl)-3-propan-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(2-hydroxy-3-phenylpropyl)-3-propan-2-ylpyrazole-5-carboxamide
PubChem CID111102752
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name1-ethyl-N-(2-hydroxy-3-phenylpropyl)-3-propan-2-ylpyrazole-5-carboxamide
SMILESCCn1nc(C(C)C)cc1C(=O)NCC(O)Cc1ccccc1
InChIInChI=1S/C18H25N3O2/c1-4-21-17(11-16(20-21)13(2)3)18(23)19-12-15(22)10-14-8-6-5-7-9-14/h5-9,11,13,15,22H,4,10,12H2,1-3H3,(H,19,23)
InChIKeyZCELXAPQGAGWRA-UHFFFAOYSA-N
XLogP2.36
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-2-hydroxy-3-oxopropyl)-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide
CID 106164346
1-ethyl-3-propan-2-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-5-carboxamide
CID 103726195
1-ethyl-N-[[3-(2-methoxyethoxy)phenyl]methyl]-3-propan-2-ylpyrazole-5-carboxamide
CID 78890944
2-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]-3-hydroxybutanoic acid
CID 43170287
(2S,3R)-2-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]-3-hydroxybutanoic acid
CID 104965026
ethane;1-ethyl-N-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 176998703
1-ethyl-N-(2-hydroxy-2-methylpropyl)-3-propan-2-ylpyrazole-5-carboxamide
CID 65109682
3-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]butanoic acid
CID 43360868
1-ethyl-N-[(2R)-2-imidazol-1-ylpropyl]-3-propan-2-ylpyrazole-5-carboxamide
CID 97143013
1-[[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115449376
1-ethyl-N-(2-hydroxy-2,3-dimethylbutyl)-3-propan-2-ylpyrazole-5-carboxamide
CID 111483892
N-[(2S)-2-hydroxy-3-phenylpropyl]acetamide
CID 95367778

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(2-hydroxy-3-phenylpropyl)-3-propan-2-ylpyrazole-5-carboxamide?
The IUPAC name of 1-ethyl-N-(2-hydroxy-3-phenylpropyl)-3-propan-2-ylpyrazole-5-carboxamide (CID 111102752) is 1-ethyl-N-(2-hydroxy-3-phenylpropyl)-3-propan-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for 1-ethyl-N-(2-hydroxy-3-phenylpropyl)-3-propan-2-ylpyrazole-5-carboxamide?
The canonical SMILES for 1-ethyl-N-(2-hydroxy-3-phenylpropyl)-3-propan-2-ylpyrazole-5-carboxamide is CCn1nc(C(C)C)cc1C(=O)NCC(O)Cc1ccccc1.
What is the InChIKey of 1-ethyl-N-(2-hydroxy-3-phenylpropyl)-3-propan-2-ylpyrazole-5-carboxamide?
The InChIKey is ZCELXAPQGAGWRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-4-21-17(11-16(20-21)13(2)3)18(23)19-12-15(22)10-14-8-6-5-7-9-14/h5-9,11,13,15,22H,4,10,12H2,1-3H3,(H,19,23).
What are the key properties of 1-ethyl-N-(2-hydroxy-3-phenylpropyl)-3-propan-2-ylpyrazole-5-carboxamide?
1-ethyl-N-(2-hydroxy-3-phenylpropyl)-3-propan-2-ylpyrazole-5-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 2.36, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(2-hydroxy-3-phenylpropyl)-3-propan-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 111102752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).