1-benzyl-N-(2-hydroxy-3-phenylpropyl)pyrazole-4-carboxamide

C20H21N3O2 — CID 111102491

IUPAC1-benzyl-N-(2-hydroxy-3-phenylpropyl)pyrazole-4-carboxamide
SMILESO=C(NCC(O)Cc1ccccc1)c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C20H21N3O2/c24-19(11-16-7-3-1-4-8-16)13-21-20(25)18-12-22-23(15-18)14-17-9-5-2-6-10-17/h1-10,12,15,19,24H,11,13-14H2,(H,21,25)
InChIKeyPLDFSXAWAXJCHM-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.26
Rot. Bonds7

About 1-benzyl-N-(2-hydroxy-3-phenylpropyl)pyrazole-4-carboxamide

1-benzyl-N-(2-hydroxy-3-phenylpropyl)pyrazole-4-carboxamide (PubChem CID 111102491) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 1-benzyl-N-(2-hydroxy-3-phenylpropyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(2-hydroxy-3-phenylpropyl)pyrazole-4-carboxamide
PubChem CID111102491
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name1-benzyl-N-(2-hydroxy-3-phenylpropyl)pyrazole-4-carboxamide
SMILESO=C(NCC(O)Cc1ccccc1)c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C20H21N3O2/c24-19(11-16-7-3-1-4-8-16)13-21-20(25)18-12-22-23(15-18)14-17-9-5-2-6-10-17/h1-10,12,15,19,24H,11,13-14H2,(H,21,25)
InChIKeyPLDFSXAWAXJCHM-UHFFFAOYSA-N
XLogP2.26
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzylpyrazole-4-carbohydrazide
CID 83386286
1-benzyl-N-[2-(dimethylamino)-2-phenylethyl]pyrazole-4-carboxamide
CID 42894629
1-benzyl-N-[(2R)-2-(dimethylamino)-2-phenylethyl]pyrazole-4-carboxamide
CID 27230847
1-benzyl-N-[2-(diethylamino)-2-phenylethyl]pyrazole-4-carboxamide
CID 18167165
methyl (2S)-2-[(1-benzylpyrazole-4-carbonyl)amino]-3-phenylpropanoate
CID 27228320
1-benzyl-N-(2-methoxyethyl)pyrazole-4-carboxamide
CID 27659405
1-benzyl-N-[2-(methylamino)ethyl]pyrazole-4-carboxamide;hydrochloride
CID 119501619
1-benzyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
CID 27554728
1-benzyl-N-(2-benzylsulfanylethyl)pyrazole-4-carboxamide
CID 9470407
1-benzyl-N-(2-ethyl-2-hydroxybutyl)pyrazole-4-carboxamide
CID 111483220
7-[(1-benzylpyrazole-4-carbonyl)amino]heptanoic acid
CID 71943614
1-benzyl-N-(1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide
CID 29370263

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(2-hydroxy-3-phenylpropyl)pyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-(2-hydroxy-3-phenylpropyl)pyrazole-4-carboxamide (CID 111102491) is 1-benzyl-N-(2-hydroxy-3-phenylpropyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-(2-hydroxy-3-phenylpropyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-(2-hydroxy-3-phenylpropyl)pyrazole-4-carboxamide is O=C(NCC(O)Cc1ccccc1)c1cnn(Cc2ccccc2)c1.
What is the InChIKey of 1-benzyl-N-(2-hydroxy-3-phenylpropyl)pyrazole-4-carboxamide?
The InChIKey is PLDFSXAWAXJCHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c24-19(11-16-7-3-1-4-8-16)13-21-20(25)18-12-22-23(15-18)14-17-9-5-2-6-10-17/h1-10,12,15,19,24H,11,13-14H2,(H,21,25).
What are the key properties of 1-benzyl-N-(2-hydroxy-3-phenylpropyl)pyrazole-4-carboxamide?
1-benzyl-N-(2-hydroxy-3-phenylpropyl)pyrazole-4-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 2.26, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(2-hydroxy-3-phenylpropyl)pyrazole-4-carboxamide is sourced from PubChem (CID 111102491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).