5-[1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide

C16H22N6O — CID 110272280

IUPAC5-[1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide
SMILESCc1cc(C)nc(N2CCCC2c2[nH]ncc2C(=O)N(C)C)n1
InChIInChI=1S/C16H22N6O/c1-10-8-11(2)19-16(18-10)22-7-5-6-13(22)14-12(9-17-20-14)15(23)21(3)4/h8-9,13H,5-7H2,1-4H3,(H,17,20)
InChIKeyODCLVBLHMGNVDB-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.86
Rot. Bonds3

About 5-[1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide

5-[1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide (PubChem CID 110272280) has the molecular formula C16H22N6O and a molecular weight of 314.39 g/mol. Its IUPAC name is 5-[1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-[1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide
PubChem CID110272280
Molecular FormulaC16H22N6O
Molecular Weight314.39 g/mol
Exact Mass314.19
IUPAC Name5-[1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide
SMILESCc1cc(C)nc(N2CCCC2c2[nH]ncc2C(=O)N(C)C)n1
InChIInChI=1S/C16H22N6O/c1-10-8-11(2)19-16(18-10)22-7-5-6-13(22)14-12(9-17-20-14)15(23)21(3)4/h8-9,13H,5-7H2,1-4H3,(H,17,20)
InChIKeyODCLVBLHMGNVDB-UHFFFAOYSA-N
XLogP1.86
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-[1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide (CID 110272280) is 5-[1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-[1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-[1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide is Cc1cc(C)nc(N2CCCC2c2[nH]ncc2C(=O)N(C)C)n1.
What is the InChIKey of 5-[1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide?
The InChIKey is ODCLVBLHMGNVDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O/c1-10-8-11(2)19-16(18-10)22-7-5-6-13(22)14-12(9-17-20-14)15(23)21(3)4/h8-9,13H,5-7H2,1-4H3,(H,17,20).
What are the key properties of 5-[1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide?
5-[1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 110272280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).