N-[1-[5-(dimethylamino)pyrimidin-4-yl]pyrazol-4-yl]-4-methoxybenzamide

C17H18N6O2 — CID 53190037

IUPACN-[1-[5-(dimethylamino)pyrimidin-4-yl]pyrazol-4-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cnn(-c3ncncc3N(C)C)c2)cc1
InChIInChI=1S/C17H18N6O2/c1-22(2)15-9-18-11-19-16(15)23-10-13(8-20-23)21-17(24)12-4-6-14(25-3)7-5-12/h4-11H,1-3H3,(H,21,24)
InChIKeyDRRWUISSTSLYGC-UHFFFAOYSA-N
MW338.37 g/mol
LogP1.99
Rot. Bonds5

About N-[1-[5-(dimethylamino)pyrimidin-4-yl]pyrazol-4-yl]-4-methoxybenzamide

N-[1-[5-(dimethylamino)pyrimidin-4-yl]pyrazol-4-yl]-4-methoxybenzamide (PubChem CID 53190037) has the molecular formula C17H18N6O2 and a molecular weight of 338.37 g/mol. Its IUPAC name is N-[1-[5-(dimethylamino)pyrimidin-4-yl]pyrazol-4-yl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[1-[5-(dimethylamino)pyrimidin-4-yl]pyrazol-4-yl]-4-methoxybenzamide
PubChem CID53190037
Molecular FormulaC17H18N6O2
Molecular Weight338.37 g/mol
Exact Mass338.15
IUPAC NameN-[1-[5-(dimethylamino)pyrimidin-4-yl]pyrazol-4-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cnn(-c3ncncc3N(C)C)c2)cc1
InChIInChI=1S/C17H18N6O2/c1-22(2)15-9-18-11-19-16(15)23-10-13(8-20-23)21-17(24)12-4-6-14(25-3)7-5-12/h4-11H,1-3H3,(H,21,24)
InChIKeyDRRWUISSTSLYGC-UHFFFAOYSA-N
XLogP1.99
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(dimethylamino)pyrimidin-4-yl]pyrazol-4-yl]-4-methoxybenzamide?
The IUPAC name of N-[1-[5-(dimethylamino)pyrimidin-4-yl]pyrazol-4-yl]-4-methoxybenzamide (CID 53190037) is N-[1-[5-(dimethylamino)pyrimidin-4-yl]pyrazol-4-yl]-4-methoxybenzamide.
What is the SMILES notation for N-[1-[5-(dimethylamino)pyrimidin-4-yl]pyrazol-4-yl]-4-methoxybenzamide?
The canonical SMILES for N-[1-[5-(dimethylamino)pyrimidin-4-yl]pyrazol-4-yl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2cnn(-c3ncncc3N(C)C)c2)cc1.
What is the InChIKey of N-[1-[5-(dimethylamino)pyrimidin-4-yl]pyrazol-4-yl]-4-methoxybenzamide?
The InChIKey is DRRWUISSTSLYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O2/c1-22(2)15-9-18-11-19-16(15)23-10-13(8-20-23)21-17(24)12-4-6-14(25-3)7-5-12/h4-11H,1-3H3,(H,21,24).
What are the key properties of N-[1-[5-(dimethylamino)pyrimidin-4-yl]pyrazol-4-yl]-4-methoxybenzamide?
N-[1-[5-(dimethylamino)pyrimidin-4-yl]pyrazol-4-yl]-4-methoxybenzamide has a molecular weight of 338.37 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(dimethylamino)pyrimidin-4-yl]pyrazol-4-yl]-4-methoxybenzamide is sourced from PubChem (CID 53190037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).