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

C17H21N7O — CID 75519227

IUPACN-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-1-propylpyrazole-4-carboxamide
SMILESCCCn1cc(C(=O)Nc2cc(C)nn2-c2nc(C)cc(C)n2)cn1
InChIInChI=1S/C17H21N7O/c1-5-6-23-10-14(9-18-23)16(25)21-15-8-13(4)22-24(15)17-19-11(2)7-12(3)20-17/h7-10H,5-6H2,1-4H3,(H,21,25)
InChIKeyIOYCDQNGWCIUEP-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.45
Rot. Bonds5

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

N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-1-propylpyrazole-4-carboxamide (PubChem CID 75519227) has the molecular formula C17H21N7O and a molecular weight of 339.40 g/mol. Its IUPAC name is N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-1-propylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-1-propylpyrazole-4-carboxamide
PubChem CID75519227
Molecular FormulaC17H21N7O
Molecular Weight339.40 g/mol
Exact Mass339.18
IUPAC NameN-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-1-propylpyrazole-4-carboxamide
SMILESCCCn1cc(C(=O)Nc2cc(C)nn2-c2nc(C)cc(C)n2)cn1
InChIInChI=1S/C17H21N7O/c1-5-6-23-10-14(9-18-23)16(25)21-15-8-13(4)22-24(15)17-19-11(2)7-12(3)20-17/h7-10H,5-6H2,1-4H3,(H,21,25)
InChIKeyIOYCDQNGWCIUEP-UHFFFAOYSA-N
XLogP2.45
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-[2-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide
CID 55842278
N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methylpropanamide
CID 2332242
N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-1,3-benzodioxole-5-carboxamide
CID 2370782
N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2,5-dimethylbenzamide
CID 2395513
4-(difluoromethylsulfonyl)-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide
CID 55487829
2-[[2-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl]-methylamino]-N-methylacetamide
CID 78825412
2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide
CID 86911462
N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-3,3-diphenylpropanamide
CID 2359697
4-oxo-4-(1-propylpyrazol-4-yl)butanoic acid
CID 103572838
2-(diethylamino)-2-methyl-1-(1-propylpyrazol-4-yl)propan-1-one
CID 79054130
N-(5-methyl-2-propylpyrazol-3-yl)-2-propylpyrazole-3-carboxamide
CID 35531688
2-[[2-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl]-propylamino]-N-(2-methylphenyl)acetamide
CID 78821432

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-1-propylpyrazole-4-carboxamide?
The IUPAC name of N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-1-propylpyrazole-4-carboxamide (CID 75519227) is N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-1-propylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-1-propylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-1-propylpyrazole-4-carboxamide is CCCn1cc(C(=O)Nc2cc(C)nn2-c2nc(C)cc(C)n2)cn1.
What is the InChIKey of N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-1-propylpyrazole-4-carboxamide?
The InChIKey is IOYCDQNGWCIUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7O/c1-5-6-23-10-14(9-18-23)16(25)21-15-8-13(4)22-24(15)17-19-11(2)7-12(3)20-17/h7-10H,5-6H2,1-4H3,(H,21,25).
What are the key properties of N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-1-propylpyrazole-4-carboxamide?
N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-1-propylpyrazole-4-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-1-propylpyrazole-4-carboxamide is sourced from PubChem (CID 75519227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).