N-[1-[5-(dimethylamino)pyrimidin-4-yl]pyrazol-4-yl]-2-(3-methoxyphenyl)acetamide

C18H20N6O2 — CID 53190035

IUPACN-[1-[5-(dimethylamino)pyrimidin-4-yl]pyrazol-4-yl]-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(CC(=O)Nc2cnn(-c3ncncc3N(C)C)c2)c1
InChIInChI=1S/C18H20N6O2/c1-23(2)16-10-19-12-20-18(16)24-11-14(9-21-24)22-17(25)8-13-5-4-6-15(7-13)26-3/h4-7,9-12H,8H2,1-3H3,(H,22,25)
InChIKeyPCKHVNZDDAMHEF-UHFFFAOYSA-N
MW352.40 g/mol
LogP1.92
Rot. Bonds6

About N-[1-[5-(dimethylamino)pyrimidin-4-yl]pyrazol-4-yl]-2-(3-methoxyphenyl)acetamide

N-[1-[5-(dimethylamino)pyrimidin-4-yl]pyrazol-4-yl]-2-(3-methoxyphenyl)acetamide (PubChem CID 53190035) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is N-[1-[5-(dimethylamino)pyrimidin-4-yl]pyrazol-4-yl]-2-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[1-[5-(dimethylamino)pyrimidin-4-yl]pyrazol-4-yl]-2-(3-methoxyphenyl)acetamide
PubChem CID53190035
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC NameN-[1-[5-(dimethylamino)pyrimidin-4-yl]pyrazol-4-yl]-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(CC(=O)Nc2cnn(-c3ncncc3N(C)C)c2)c1
InChIInChI=1S/C18H20N6O2/c1-23(2)16-10-19-12-20-18(16)24-11-14(9-21-24)22-17(25)8-13-5-4-6-15(7-13)26-3/h4-7,9-12H,8H2,1-3H3,(H,22,25)
InChIKeyPCKHVNZDDAMHEF-UHFFFAOYSA-N
XLogP1.92
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3-methoxyphenyl)-N-[1-(5-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]acetamide
CID 53189929
N-[1-[5-(dimethylamino)pyrimidin-2-yl]pyrazol-4-yl]-3-(3-methoxyphenyl)propanamide
CID 53167940
2-(3-methoxyphenyl)-N-[1-(5-pyrrolidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]acetamide
CID 53167952
2-(3-methoxyphenyl)-N-[1-(5-thiomorpholin-4-ylpyrimidin-2-yl)pyrazol-4-yl]acetamide
CID 53168028
2-(4-methoxyphenyl)-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]acetamide
CID 35521443
2-(3-methoxyphenyl)-N-phenylacetamide
CID 2598681
N-(6-amino-3-pyridinyl)-2-(3-methoxyphenyl)acetamide
CID 62899176
2-(3-methoxyphenyl)-N-(4-pyrazol-1-ylphenyl)acetamide
CID 31907046
N-(6-chloro-5-methyl-3-pyridinyl)-2-(3-methoxyphenyl)acetamide
CID 103730431
N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]butanamide
CID 19410275
N-(3-hydroxyphenyl)-2-(3-methoxyphenyl)acetamide
CID 28739724
N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]pentanamide
CID 35521519

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(dimethylamino)pyrimidin-4-yl]pyrazol-4-yl]-2-(3-methoxyphenyl)acetamide?
The IUPAC name of N-[1-[5-(dimethylamino)pyrimidin-4-yl]pyrazol-4-yl]-2-(3-methoxyphenyl)acetamide (CID 53190035) is N-[1-[5-(dimethylamino)pyrimidin-4-yl]pyrazol-4-yl]-2-(3-methoxyphenyl)acetamide.
What is the SMILES notation for N-[1-[5-(dimethylamino)pyrimidin-4-yl]pyrazol-4-yl]-2-(3-methoxyphenyl)acetamide?
The canonical SMILES for N-[1-[5-(dimethylamino)pyrimidin-4-yl]pyrazol-4-yl]-2-(3-methoxyphenyl)acetamide is COc1cccc(CC(=O)Nc2cnn(-c3ncncc3N(C)C)c2)c1.
What is the InChIKey of N-[1-[5-(dimethylamino)pyrimidin-4-yl]pyrazol-4-yl]-2-(3-methoxyphenyl)acetamide?
The InChIKey is PCKHVNZDDAMHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2/c1-23(2)16-10-19-12-20-18(16)24-11-14(9-21-24)22-17(25)8-13-5-4-6-15(7-13)26-3/h4-7,9-12H,8H2,1-3H3,(H,22,25).
What are the key properties of N-[1-[5-(dimethylamino)pyrimidin-4-yl]pyrazol-4-yl]-2-(3-methoxyphenyl)acetamide?
N-[1-[5-(dimethylamino)pyrimidin-4-yl]pyrazol-4-yl]-2-(3-methoxyphenyl)acetamide has a molecular weight of 352.40 g/mol, XLogP of 1.92, 6 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]-2-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 53190035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).