1-benzyl-5-ethyl-N-(1-hydroxypropan-2-yl)pyrazole-4-carboxamide

C16H21N3O2 — CID 110890160

IUPAC1-benzyl-5-ethyl-N-(1-hydroxypropan-2-yl)pyrazole-4-carboxamide
SMILESCCc1c(C(=O)NC(C)CO)cnn1Cc1ccccc1
InChIInChI=1S/C16H21N3O2/c1-3-15-14(16(21)18-12(2)11-20)9-17-19(15)10-13-7-5-4-6-8-13/h4-9,12,20H,3,10-11H2,1-2H3,(H,18,21)
InChIKeyUQBHVCYAYNBGSO-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.60
Rot. Bonds6

About 1-benzyl-5-ethyl-N-(1-hydroxypropan-2-yl)pyrazole-4-carboxamide

1-benzyl-5-ethyl-N-(1-hydroxypropan-2-yl)pyrazole-4-carboxamide (PubChem CID 110890160) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-benzyl-5-ethyl-N-(1-hydroxypropan-2-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-5-ethyl-N-(1-hydroxypropan-2-yl)pyrazole-4-carboxamide
PubChem CID110890160
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name1-benzyl-5-ethyl-N-(1-hydroxypropan-2-yl)pyrazole-4-carboxamide
SMILESCCc1c(C(=O)NC(C)CO)cnn1Cc1ccccc1
InChIInChI=1S/C16H21N3O2/c1-3-15-14(16(21)18-12(2)11-20)9-17-19(15)10-13-7-5-4-6-8-13/h4-9,12,20H,3,10-11H2,1-2H3,(H,18,21)
InChIKeyUQBHVCYAYNBGSO-UHFFFAOYSA-N
XLogP1.60
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1-benzyl-5-ethylpyrazole-4-carbonyl)amino]butanoic acid
CID 119347896
2-benzyl-3-[(1-benzyl-5-ethylpyrazole-4-carbonyl)amino]propanoic acid
CID 120525129
1-benzyl-N-(1-hydroxybutan-2-yl)-5-propylpyrazole-4-carboxamide
CID 110891716
1-benzyl-5-ethyl-N-prop-2-ynylpyrazole-4-carboxamide
CID 78873764
2-[1-[(1-benzyl-5-ethylpyrazole-4-carbonyl)amino]ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 120537627
N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-benzyl-5-ethylpyrazole-4-carboxamide
CID 78873469
1-benzyl-N-(2-bromophenyl)-5-ethylpyrazole-4-carboxamide
CID 78874152
1-benzyl-N-cyclopentyl-5-ethylpyrazole-4-carboxamide
CID 78874188
methyl N-[4-[(1-benzyl-5-ethylpyrazole-4-carbonyl)amino]phenyl]carbamate
CID 78890376
1-benzyl-N-(1-hydroxypropan-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 78856623
1-benzyl-5-ethyl-N-(2-phenoxyethyl)pyrazole-4-carboxamide
CID 78873047
1-benzyl-5-ethyl-N-(2-methoxyphenyl)pyrazole-4-carboxamide
CID 78874158

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-ethyl-N-(1-hydroxypropan-2-yl)pyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-5-ethyl-N-(1-hydroxypropan-2-yl)pyrazole-4-carboxamide (CID 110890160) is 1-benzyl-5-ethyl-N-(1-hydroxypropan-2-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-5-ethyl-N-(1-hydroxypropan-2-yl)pyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-5-ethyl-N-(1-hydroxypropan-2-yl)pyrazole-4-carboxamide is CCc1c(C(=O)NC(C)CO)cnn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-5-ethyl-N-(1-hydroxypropan-2-yl)pyrazole-4-carboxamide?
The InChIKey is UQBHVCYAYNBGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-3-15-14(16(21)18-12(2)11-20)9-17-19(15)10-13-7-5-4-6-8-13/h4-9,12,20H,3,10-11H2,1-2H3,(H,18,21).
What are the key properties of 1-benzyl-5-ethyl-N-(1-hydroxypropan-2-yl)pyrazole-4-carboxamide?
1-benzyl-5-ethyl-N-(1-hydroxypropan-2-yl)pyrazole-4-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-ethyl-N-(1-hydroxypropan-2-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 110890160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).