N-[1-(5,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2,5-dimethylpyrazole-3-carboxamide

C17H24N6O — CID 172899553

IUPACN-[1-(5,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCN(c3ncnc(C)c3C)CC2)n(C)n1
InChIInChI=1S/C17H24N6O/c1-11-9-15(22(4)21-11)17(24)20-14-5-7-23(8-6-14)16-12(2)13(3)18-10-19-16/h9-10,14H,5-8H2,1-4H3,(H,20,24)
InChIKeyOTDCXZXBHPELJJ-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.53
Rot. Bonds3

About N-[1-(5,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2,5-dimethylpyrazole-3-carboxamide

N-[1-(5,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2,5-dimethylpyrazole-3-carboxamide (PubChem CID 172899553) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[1-(5,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(5,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2,5-dimethylpyrazole-3-carboxamide
PubChem CID172899553
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC NameN-[1-(5,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCN(c3ncnc(C)c3C)CC2)n(C)n1
InChIInChI=1S/C17H24N6O/c1-11-9-15(22(4)21-11)17(24)20-14-5-7-23(8-6-14)16-12(2)13(3)18-10-19-16/h9-10,14H,5-8H2,1-4H3,(H,20,24)
InChIKeyOTDCXZXBHPELJJ-UHFFFAOYSA-N
XLogP1.53
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,5-dimethyl-N-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]pyrazole-3-carboxamide
CID 172899580
2,5-dimethyl-N-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]pyrazole-3-carboxamide
CID 172899602
2,5-dimethyl-N-[1-(4-methylsulfonylphenyl)piperidin-4-yl]pyrazole-3-carboxamide
CID 172901974
N-(4-hydroxycyclohexyl)-2,5-dimethylpyrazole-3-carboxamide
CID 61057507
N-[1-(5,6-dimethylpyrimidin-4-yl)piperidin-3-yl]-2-methylpyrazole-3-carboxamide
CID 172891341
N-[1-[6-(3-acetamidopyrrolidin-1-yl)-5-methylpyrimidin-4-yl]pyrrolidin-3-yl]acetamide
CID 138033621
2,5-dimethyl-N-[4-(propylamino)cyclohexyl]pyrazole-3-carboxamide
CID 66126685
2,5-dimethyl-N-(1-thieno[2,3-d]pyrimidin-4-ylazetidin-3-yl)pyrazole-3-carboxamide
CID 175650434
2,5-dimethyl-N-[1-(2-phenylethyl)piperidin-4-yl]pyrazole-3-carboxamide
CID 175649732
2,5-dimethyl-N-[1-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidin-4-yl]pyrazole-3-carboxamide
CID 172902834
N-[1-(4-ethoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-2,5-dimethylpyrazole-3-carboxamide
CID 172903919
N-[4-(cyclopropylcarbamoyl)phenyl]-2,5-dimethylpyrazole-3-carboxamide
CID 87024230

Frequently Asked Questions

What is the IUPAC name of N-[1-(5,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[1-(5,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2,5-dimethylpyrazole-3-carboxamide (CID 172899553) is N-[1-(5,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[1-(5,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[1-(5,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2,5-dimethylpyrazole-3-carboxamide is Cc1cc(C(=O)NC2CCN(c3ncnc(C)c3C)CC2)n(C)n1.
What is the InChIKey of N-[1-(5,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2,5-dimethylpyrazole-3-carboxamide?
The InChIKey is OTDCXZXBHPELJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-11-9-15(22(4)21-11)17(24)20-14-5-7-23(8-6-14)16-12(2)13(3)18-10-19-16/h9-10,14H,5-8H2,1-4H3,(H,20,24).
What are the key properties of N-[1-(5,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2,5-dimethylpyrazole-3-carboxamide?
N-[1-(5,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2,5-dimethylpyrazole-3-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 172899553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).