1-[[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide

C16H16N4O3 — CID 141321250

IUPAC1-[[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide
SMILESNC(=O)c1cnn(Cc2ccc(CN3C(=O)CCC3=O)cc2)c1
InChIInChI=1S/C16H16N4O3/c17-16(23)13-7-18-19(10-13)8-11-1-3-12(4-2-11)9-20-14(21)5-6-15(20)22/h1-4,7,10H,5-6,8-9H2,(H2,17,23)
InChIKeyPQRBHZFGHRYONT-UHFFFAOYSA-N
MW312.33 g/mol
LogP0.68
Rot. Bonds5

About 1-[[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide

1-[[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide (PubChem CID 141321250) has the molecular formula C16H16N4O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is 1-[[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide
PubChem CID141321250
Molecular FormulaC16H16N4O3
Molecular Weight312.33 g/mol
Exact Mass312.12
IUPAC Name1-[[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide
SMILESNC(=O)c1cnn(Cc2ccc(CN3C(=O)CCC3=O)cc2)c1
InChIInChI=1S/C16H16N4O3/c17-16(23)13-7-18-19(10-13)8-11-1-3-12(4-2-11)9-20-14(21)5-6-15(20)22/h1-4,7,10H,5-6,8-9H2,(H2,17,23)
InChIKeyPQRBHZFGHRYONT-UHFFFAOYSA-N
XLogP0.68
TPSA98.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-[(4-fluorophenyl)methyl]pyrazole-4-carboxamide
CID 145294520
1-[[4-(aminomethyl)-2-chlorophenyl]methyl]pyrazole-4-carboxamide
CID 102663306
5-[(4-carbamoylpyrazol-1-yl)methyl]-1-benzofuran-2-carboxylic acid
CID 65295105
(2,5-dioxopyrrolidin-1-yl) 1-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxylate
CID 170758594
1-(2-chloroethyl)pyrazole-4-carboxamide
CID 130161502
(2-amino-2-oxoethyl) 4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzoate
CID 32939173
1-[(4-iodophenyl)methyl]pyrazole-4-carboxylic acid
CID 65477016
1-benzylpyrazole-4-carbohydrazide
CID 83386286
4-[(2,7-dioxoazepan-1-yl)methyl]benzoic acid
CID 43446723
4-[[(1-benzylpyrazol-4-yl)methylamino]methyl]benzamide
CID 86809283
1-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]propan-1-one
CID 55110396
1-[[2-methyl-4-(morpholin-4-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 174752138

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide?
The IUPAC name of 1-[[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide (CID 141321250) is 1-[[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-[[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-[[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide is NC(=O)c1cnn(Cc2ccc(CN3C(=O)CCC3=O)cc2)c1.
What is the InChIKey of 1-[[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide?
The InChIKey is PQRBHZFGHRYONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3/c17-16(23)13-7-18-19(10-13)8-11-1-3-12(4-2-11)9-20-14(21)5-6-15(20)22/h1-4,7,10H,5-6,8-9H2,(H2,17,23).
What are the key properties of 1-[[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide?
1-[[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide has a molecular weight of 312.33 g/mol, XLogP of 0.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 141321250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).