1-benzyl-N-[(4-carbamoyloxan-4-yl)methyl]pyrazole-4-carboxamide

C18H22N4O3 — CID 56796959

IUPAC1-benzyl-N-[(4-carbamoyloxan-4-yl)methyl]pyrazole-4-carboxamide
SMILESNC(=O)C1(CNC(=O)c2cnn(Cc3ccccc3)c2)CCOCC1
InChIInChI=1S/C18H22N4O3/c19-17(24)18(6-8-25-9-7-18)13-20-16(23)15-10-21-22(12-15)11-14-4-2-1-3-5-14/h1-5,10,12H,6-9,11,13H2,(H2,19,24)(H,20,23)
InChIKeyZMXLDDQBMOMXON-UHFFFAOYSA-N
MW342.40 g/mol
LogP0.94
Rot. Bonds6

About 1-benzyl-N-[(4-carbamoyloxan-4-yl)methyl]pyrazole-4-carboxamide

1-benzyl-N-[(4-carbamoyloxan-4-yl)methyl]pyrazole-4-carboxamide (PubChem CID 56796959) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 1-benzyl-N-[(4-carbamoyloxan-4-yl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[(4-carbamoyloxan-4-yl)methyl]pyrazole-4-carboxamide
PubChem CID56796959
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name1-benzyl-N-[(4-carbamoyloxan-4-yl)methyl]pyrazole-4-carboxamide
SMILESNC(=O)C1(CNC(=O)c2cnn(Cc3ccccc3)c2)CCOCC1
InChIInChI=1S/C18H22N4O3/c19-17(24)18(6-8-25-9-7-18)13-20-16(23)15-10-21-22(12-15)11-14-4-2-1-3-5-14/h1-5,10,12H,6-9,11,13H2,(H2,19,24)(H,20,23)
InChIKeyZMXLDDQBMOMXON-UHFFFAOYSA-N
XLogP0.94
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[(1-benzylpyrazole-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 120544737
1-benzylpyrazole-4-carbohydrazide
CID 83386286
1-benzyl-N-[(4-carbamoyloxan-4-yl)methyl]-2,5-dimethylpyrrole-3-carboxamide
CID 136578278
1-benzyl-N-[2-(methylamino)ethyl]pyrazole-4-carboxamide;hydrochloride
CID 119501619
4-[[(2-hydroxybenzoyl)amino]methyl]oxane-4-carboxamide
CID 136577715
1-benzyl-N-[2-(morpholin-4-ylmethyl)phenyl]pyrazole-4-carboxamide
CID 131931531
N-[(4-carbamoyloxan-4-yl)methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 56817800
1-benzyl-N-(2-methoxyethyl)pyrazole-4-carboxamide
CID 27659405
N-(2-amino-2-ethylbutyl)-1-benzylpyrazole-4-carboxamide
CID 119641319
1-benzyl-N-(1-cyanocyclohexyl)pyrazole-4-carboxamide
CID 78830290
1-benzyl-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]pyrazole-4-carboxamide
CID 31909068
1-benzyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
CID 27554728

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(4-carbamoyloxan-4-yl)methyl]pyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-[(4-carbamoyloxan-4-yl)methyl]pyrazole-4-carboxamide (CID 56796959) is 1-benzyl-N-[(4-carbamoyloxan-4-yl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-[(4-carbamoyloxan-4-yl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-[(4-carbamoyloxan-4-yl)methyl]pyrazole-4-carboxamide is NC(=O)C1(CNC(=O)c2cnn(Cc3ccccc3)c2)CCOCC1.
What is the InChIKey of 1-benzyl-N-[(4-carbamoyloxan-4-yl)methyl]pyrazole-4-carboxamide?
The InChIKey is ZMXLDDQBMOMXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c19-17(24)18(6-8-25-9-7-18)13-20-16(23)15-10-21-22(12-15)11-14-4-2-1-3-5-14/h1-5,10,12H,6-9,11,13H2,(H2,19,24)(H,20,23).
What are the key properties of 1-benzyl-N-[(4-carbamoyloxan-4-yl)methyl]pyrazole-4-carboxamide?
1-benzyl-N-[(4-carbamoyloxan-4-yl)methyl]pyrazole-4-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 0.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[(4-carbamoyloxan-4-yl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 56796959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).