5-ethyl-N-(1-hydroxy-3-phenylpropan-2-yl)-1H-pyrazole-3-carboxamide

C15H19N3O2 — CID 75437826

IUPAC5-ethyl-N-(1-hydroxy-3-phenylpropan-2-yl)-1H-pyrazole-3-carboxamide
SMILESCCc1cc(C(=O)NC(CO)Cc2ccccc2)n[nH]1
InChIInChI=1S/C15H19N3O2/c1-2-12-9-14(18-17-12)15(20)16-13(10-19)8-11-6-4-3-5-7-11/h3-7,9,13,19H,2,8,10H2,1H3,(H,16,20)(H,17,18)
InChIKeyPHTFMOCNTPGVDA-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.31
Rot. Bonds6

About 5-ethyl-N-(1-hydroxy-3-phenylpropan-2-yl)-1H-pyrazole-3-carboxamide

5-ethyl-N-(1-hydroxy-3-phenylpropan-2-yl)-1H-pyrazole-3-carboxamide (PubChem CID 75437826) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 5-ethyl-N-(1-hydroxy-3-phenylpropan-2-yl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-(1-hydroxy-3-phenylpropan-2-yl)-1H-pyrazole-3-carboxamide
PubChem CID75437826
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name5-ethyl-N-(1-hydroxy-3-phenylpropan-2-yl)-1H-pyrazole-3-carboxamide
SMILESCCc1cc(C(=O)NC(CO)Cc2ccccc2)n[nH]1
InChIInChI=1S/C15H19N3O2/c1-2-12-9-14(18-17-12)15(20)16-13(10-19)8-11-6-4-3-5-7-11/h3-7,9,13,19H,2,8,10H2,1H3,(H,16,20)(H,17,18)
InChIKeyPHTFMOCNTPGVDA-UHFFFAOYSA-N
XLogP1.31
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(1-hydroxy-3-phenylpropan-2-yl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-ethyl-N-(1-hydroxy-3-phenylpropan-2-yl)-1H-pyrazole-3-carboxamide (CID 75437826) is 5-ethyl-N-(1-hydroxy-3-phenylpropan-2-yl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-ethyl-N-(1-hydroxy-3-phenylpropan-2-yl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-ethyl-N-(1-hydroxy-3-phenylpropan-2-yl)-1H-pyrazole-3-carboxamide is CCc1cc(C(=O)NC(CO)Cc2ccccc2)n[nH]1.
What is the InChIKey of 5-ethyl-N-(1-hydroxy-3-phenylpropan-2-yl)-1H-pyrazole-3-carboxamide?
The InChIKey is PHTFMOCNTPGVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-2-12-9-14(18-17-12)15(20)16-13(10-19)8-11-6-4-3-5-7-11/h3-7,9,13,19H,2,8,10H2,1H3,(H,16,20)(H,17,18).
What are the key properties of 5-ethyl-N-(1-hydroxy-3-phenylpropan-2-yl)-1H-pyrazole-3-carboxamide?
5-ethyl-N-(1-hydroxy-3-phenylpropan-2-yl)-1H-pyrazole-3-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 1.31, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(1-hydroxy-3-phenylpropan-2-yl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 75437826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).