1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-N,5-dimethyl-N-(oxolan-3-yl)pyrazole-4-carboxamide

C21H22FN5O2 — CID 45166835

IUPAC1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-N,5-dimethyl-N-(oxolan-3-yl)pyrazole-4-carboxamide
SMILESCc1cnc(-n2ncc(C(=O)N(C)C3CCOC3)c2C)nc1-c1ccc(F)cc1
InChIInChI=1S/C21H22FN5O2/c1-13-10-23-21(25-19(13)15-4-6-16(22)7-5-15)27-14(2)18(11-24-27)20(28)26(3)17-8-9-29-12-17/h4-7,10-11,17H,8-9,12H2,1-3H3
InChIKeyOGROJUCTYWXQHL-UHFFFAOYSA-N
MW395.44 g/mol
LogP2.95
Rot. Bonds4

About 1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-N,5-dimethyl-N-(oxolan-3-yl)pyrazole-4-carboxamide

1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-N,5-dimethyl-N-(oxolan-3-yl)pyrazole-4-carboxamide (PubChem CID 45166835) has the molecular formula C21H22FN5O2 and a molecular weight of 395.44 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-N,5-dimethyl-N-(oxolan-3-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-N,5-dimethyl-N-(oxolan-3-yl)pyrazole-4-carboxamide
PubChem CID45166835
Molecular FormulaC21H22FN5O2
Molecular Weight395.44 g/mol
Exact Mass395.18
IUPAC Name1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-N,5-dimethyl-N-(oxolan-3-yl)pyrazole-4-carboxamide
SMILESCc1cnc(-n2ncc(C(=O)N(C)C3CCOC3)c2C)nc1-c1ccc(F)cc1
InChIInChI=1S/C21H22FN5O2/c1-13-10-23-21(25-19(13)15-4-6-16(22)7-5-15)27-14(2)18(11-24-27)20(28)26(3)17-8-9-29-12-17/h4-7,10-11,17H,8-9,12H2,1-3H3
InChIKeyOGROJUCTYWXQHL-UHFFFAOYSA-N
XLogP2.95
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-N,5-dimethyl-N-(oxolan-3-yl)pyrazole-4-carboxamide?
The IUPAC name of 1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-N,5-dimethyl-N-(oxolan-3-yl)pyrazole-4-carboxamide (CID 45166835) is 1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-N,5-dimethyl-N-(oxolan-3-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-N,5-dimethyl-N-(oxolan-3-yl)pyrazole-4-carboxamide?
The canonical SMILES for 1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-N,5-dimethyl-N-(oxolan-3-yl)pyrazole-4-carboxamide is Cc1cnc(-n2ncc(C(=O)N(C)C3CCOC3)c2C)nc1-c1ccc(F)cc1.
What is the InChIKey of 1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-N,5-dimethyl-N-(oxolan-3-yl)pyrazole-4-carboxamide?
The InChIKey is OGROJUCTYWXQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5O2/c1-13-10-23-21(25-19(13)15-4-6-16(22)7-5-15)27-14(2)18(11-24-27)20(28)26(3)17-8-9-29-12-17/h4-7,10-11,17H,8-9,12H2,1-3H3.
What are the key properties of 1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-N,5-dimethyl-N-(oxolan-3-yl)pyrazole-4-carboxamide?
1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-N,5-dimethyl-N-(oxolan-3-yl)pyrazole-4-carboxamide has a molecular weight of 395.44 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-N,5-dimethyl-N-(oxolan-3-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 45166835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).