1-(1,3-dimethyl-4-phenylpyrazol-5-yl)-5-oxopyrrolidine-3-carboxamide

C16H18N4O2 — CID 168697091

IUPAC1-(1,3-dimethyl-4-phenylpyrazol-5-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1nn(C)c(N2CC(C(N)=O)CC2=O)c1-c1ccccc1
InChIInChI=1S/C16H18N4O2/c1-10-14(11-6-4-3-5-7-11)16(19(2)18-10)20-9-12(15(17)22)8-13(20)21/h3-7,12H,8-9H2,1-2H3,(H2,17,22)
InChIKeyXAXGVQCOPZDLGX-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.23
Rot. Bonds3

About 1-(1,3-dimethyl-4-phenylpyrazol-5-yl)-5-oxopyrrolidine-3-carboxamide

1-(1,3-dimethyl-4-phenylpyrazol-5-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 168697091) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 1-(1,3-dimethyl-4-phenylpyrazol-5-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(1,3-dimethyl-4-phenylpyrazol-5-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID168697091
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name1-(1,3-dimethyl-4-phenylpyrazol-5-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1nn(C)c(N2CC(C(N)=O)CC2=O)c1-c1ccccc1
InChIInChI=1S/C16H18N4O2/c1-10-14(11-6-4-3-5-7-11)16(19(2)18-10)20-9-12(15(17)22)8-13(20)21/h3-7,12H,8-9H2,1-2H3,(H2,17,22)
InChIKeyXAXGVQCOPZDLGX-UHFFFAOYSA-N
XLogP1.23
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-(1,3-dimethyl-4-phenylpyrazol-5-yl)-5-oxopyrrolidine-3-carboxylate
CID 168693996
5-oxo-1-(5-phenyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 168698569
1-(2-methylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 168696654
(3S)-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 42579807
1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17120547
4-(4-carbamoyl-2-oxopyrrolidin-1-yl)-3-methylbenzoic acid
CID 168696744
(3S)-1-[3-[(4R)-4-carbamoyl-2-oxopyrrolidin-1-yl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 94076238
5-oxo-1-(4-phenyldiazenylphenyl)pyrrolidine-3-carboxamide
CID 168697851
1-(3-amino-6-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 168696888
1-(4-aminophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168697847
methyl 1-(1-methyl-3-phenylpyrazol-5-yl)-5-oxopyrrolidine-3-carboxylate
CID 168694008
1-[2-(aminomethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 168697394

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethyl-4-phenylpyrazol-5-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(1,3-dimethyl-4-phenylpyrazol-5-yl)-5-oxopyrrolidine-3-carboxamide (CID 168697091) is 1-(1,3-dimethyl-4-phenylpyrazol-5-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(1,3-dimethyl-4-phenylpyrazol-5-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(1,3-dimethyl-4-phenylpyrazol-5-yl)-5-oxopyrrolidine-3-carboxamide is Cc1nn(C)c(N2CC(C(N)=O)CC2=O)c1-c1ccccc1.
What is the InChIKey of 1-(1,3-dimethyl-4-phenylpyrazol-5-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is XAXGVQCOPZDLGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-10-14(11-6-4-3-5-7-11)16(19(2)18-10)20-9-12(15(17)22)8-13(20)21/h3-7,12H,8-9H2,1-2H3,(H2,17,22).
What are the key properties of 1-(1,3-dimethyl-4-phenylpyrazol-5-yl)-5-oxopyrrolidine-3-carboxamide?
1-(1,3-dimethyl-4-phenylpyrazol-5-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 298.35 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethyl-4-phenylpyrazol-5-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 168697091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).