N-[2-(2-oxopyrrolidin-1-yl)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide

C20H22N6O2 — CID 78879260

IUPACN-[2-(2-oxopyrrolidin-1-yl)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
SMILESCc1nn(C)c(C)c1-c1cc(C(=O)Nc2ccccc2N2CCCC2=O)[nH]n1
InChIInChI=1S/C20H22N6O2/c1-12-19(13(2)25(3)24-12)15-11-16(23-22-15)20(28)21-14-7-4-5-8-17(14)26-10-6-9-18(26)27/h4-5,7-8,11H,6,9-10H2,1-3H3,(H,21,28)(H,22,23)
InChIKeyBIDFWNZMOBKWDY-UHFFFAOYSA-N
MW378.44 g/mol
LogP2.81
Rot. Bonds4

About N-[2-(2-oxopyrrolidin-1-yl)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide

N-[2-(2-oxopyrrolidin-1-yl)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide (PubChem CID 78879260) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is N-[2-(2-oxopyrrolidin-1-yl)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(2-oxopyrrolidin-1-yl)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
PubChem CID78879260
Molecular FormulaC20H22N6O2
Molecular Weight378.44 g/mol
Exact Mass378.18
IUPAC NameN-[2-(2-oxopyrrolidin-1-yl)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
SMILESCc1nn(C)c(C)c1-c1cc(C(=O)Nc2ccccc2N2CCCC2=O)[nH]n1
InChIInChI=1S/C20H22N6O2/c1-12-19(13(2)25(3)24-12)15-11-16(23-22-15)20(28)21-14-7-4-5-8-17(14)26-10-6-9-18(26)27/h4-5,7-8,11H,6,9-10H2,1-3H3,(H,21,28)(H,22,23)
InChIKeyBIDFWNZMOBKWDY-UHFFFAOYSA-N
XLogP2.81
TPSA95.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-oxopyrrolidin-1-yl)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[2-(2-oxopyrrolidin-1-yl)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide (CID 78879260) is N-[2-(2-oxopyrrolidin-1-yl)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[2-(2-oxopyrrolidin-1-yl)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[2-(2-oxopyrrolidin-1-yl)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide is Cc1nn(C)c(C)c1-c1cc(C(=O)Nc2ccccc2N2CCCC2=O)[nH]n1.
What is the InChIKey of N-[2-(2-oxopyrrolidin-1-yl)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?
The InChIKey is BIDFWNZMOBKWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2/c1-12-19(13(2)25(3)24-12)15-11-16(23-22-15)20(28)21-14-7-4-5-8-17(14)26-10-6-9-18(26)27/h4-5,7-8,11H,6,9-10H2,1-3H3,(H,21,28)(H,22,23).
What are the key properties of N-[2-(2-oxopyrrolidin-1-yl)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?
N-[2-(2-oxopyrrolidin-1-yl)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 378.44 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-oxopyrrolidin-1-yl)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 78879260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).