N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide

C19H22FN7O — CID 122319694

IUPACN-[2,4-bis(dimethylamino)pyrimidin-5-yl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
SMILESCN(C)c1ncc(NC(=O)c2cc(-c3ccc(F)cc3)nn2C)c(N(C)C)n1
InChIInChI=1S/C19H22FN7O/c1-25(2)17-15(11-21-19(23-17)26(3)4)22-18(28)16-10-14(24-27(16)5)12-6-8-13(20)9-7-12/h6-11H,1-5H3,(H,22,28)
InChIKeyRWGQEFPNYIDOLF-UHFFFAOYSA-N
MW383.43 g/mol
LogP2.40
Rot. Bonds5

About N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide

N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide (PubChem CID 122319694) has the molecular formula C19H22FN7O and a molecular weight of 383.43 g/mol. Its IUPAC name is N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2,4-bis(dimethylamino)pyrimidin-5-yl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
PubChem CID122319694
Molecular FormulaC19H22FN7O
Molecular Weight383.43 g/mol
Exact Mass383.19
IUPAC NameN-[2,4-bis(dimethylamino)pyrimidin-5-yl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
SMILESCN(C)c1ncc(NC(=O)c2cc(-c3ccc(F)cc3)nn2C)c(N(C)C)n1
InChIInChI=1S/C19H22FN7O/c1-25(2)17-15(11-21-19(23-17)26(3)4)22-18(28)16-10-14(24-27(16)5)12-6-8-13(20)9-7-12/h6-11H,1-5H3,(H,22,28)
InChIKeyRWGQEFPNYIDOLF-UHFFFAOYSA-N
XLogP2.40
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
CID 122319951
N-(2,4-dimethoxypyrimidin-5-yl)-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
CID 122304078
N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-5-fluoropyridine-3-carboxamide
CID 122319790
N-(2-ethoxypyrimidin-5-yl)-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
CID 122301993
3-(4-fluorophenyl)-1-methyl-N-(1,3-thiazol-2-yl)pyrazole-5-carboxamide
CID 121083918
3-(4-fluorophenyl)-1-methylpyrazole-5-carbonyl chloride
CID 83381357
4-acetyl-N-[2,4-bis(dimethylamino)pyrimidin-5-yl]benzamide
CID 122319784
3-(4-fluorophenyl)-N-(2-imidazol-1-ylpyrimidin-5-yl)-1-methylpyrazole-5-carboxamide
CID 122300852
N-[2,4-bis(dimethylamino)pyrimidin-5-yl]furan-3-carboxamide
CID 122319704
N-(4-cyanophenyl)-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
CID 174832757
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2,5-dimethylpyrazole-3-carboxamide
CID 16809683
N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-2,5-dimethylbenzamide
CID 91969285

Frequently Asked Questions

What is the IUPAC name of N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide?
The IUPAC name of N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide (CID 122319694) is N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide?
The canonical SMILES for N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide is CN(C)c1ncc(NC(=O)c2cc(-c3ccc(F)cc3)nn2C)c(N(C)C)n1.
What is the InChIKey of N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide?
The InChIKey is RWGQEFPNYIDOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN7O/c1-25(2)17-15(11-21-19(23-17)26(3)4)22-18(28)16-10-14(24-27(16)5)12-6-8-13(20)9-7-12/h6-11H,1-5H3,(H,22,28).
What are the key properties of N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide?
N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide has a molecular weight of 383.43 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 122319694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).