1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-(2-methylpropyl)azetidine-3-carboxamide

C17H24N6O — CID 121168871

IUPAC1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-(2-methylpropyl)azetidine-3-carboxamide
SMILESCc1cc(C)n(-c2cc(N3CC(C(=O)NCC(C)C)C3)ncn2)n1
InChIInChI=1S/C17H24N6O/c1-11(2)7-18-17(24)14-8-22(9-14)15-6-16(20-10-19-15)23-13(4)5-12(3)21-23/h5-6,10-11,14H,7-9H2,1-4H3,(H,18,24)
InChIKeyHBOUYYNFVQITEN-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.49
Rot. Bonds5

About 1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-(2-methylpropyl)azetidine-3-carboxamide

1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-(2-methylpropyl)azetidine-3-carboxamide (PubChem CID 121168871) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is 1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-(2-methylpropyl)azetidine-3-carboxamide.

Molecular Properties

Compound Name1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-(2-methylpropyl)azetidine-3-carboxamide
PubChem CID121168871
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC Name1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-(2-methylpropyl)azetidine-3-carboxamide
SMILESCc1cc(C)n(-c2cc(N3CC(C(=O)NCC(C)C)C3)ncn2)n1
InChIInChI=1S/C17H24N6O/c1-11(2)7-18-17(24)14-8-22(9-14)15-6-16(20-10-19-15)23-13(4)5-12(3)21-23/h5-6,10-11,14H,7-9H2,1-4H3,(H,18,24)
InChIKeyHBOUYYNFVQITEN-UHFFFAOYSA-N
XLogP1.49
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-(2-methylpropyl)azetidine-3-carboxamide?
The IUPAC name of 1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-(2-methylpropyl)azetidine-3-carboxamide (CID 121168871) is 1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-(2-methylpropyl)azetidine-3-carboxamide.
What is the SMILES notation for 1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-(2-methylpropyl)azetidine-3-carboxamide?
The canonical SMILES for 1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-(2-methylpropyl)azetidine-3-carboxamide is Cc1cc(C)n(-c2cc(N3CC(C(=O)NCC(C)C)C3)ncn2)n1.
What is the InChIKey of 1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-(2-methylpropyl)azetidine-3-carboxamide?
The InChIKey is HBOUYYNFVQITEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-11(2)7-18-17(24)14-8-22(9-14)15-6-16(20-10-19-15)23-13(4)5-12(3)21-23/h5-6,10-11,14H,7-9H2,1-4H3,(H,18,24).
What are the key properties of 1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-(2-methylpropyl)azetidine-3-carboxamide?
1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-(2-methylpropyl)azetidine-3-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-(2-methylpropyl)azetidine-3-carboxamide is sourced from PubChem (CID 121168871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).