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

C21H19FN6OS — CID 42324218

IUPAC1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-5-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide
SMILESCc1nc(CNC(=O)c2cnn(-c3ncc(C)c(-c4ccc(F)cc4)n3)c2C)cs1
InChIInChI=1S/C21H19FN6OS/c1-12-8-24-21(27-19(12)15-4-6-16(22)7-5-15)28-13(2)18(10-25-28)20(29)23-9-17-11-30-14(3)26-17/h4-8,10-11H,9H2,1-3H3,(H,23,29)
InChIKeyIHVMGQFYSNVMRU-UHFFFAOYSA-N
MW422.49 g/mol
LogP3.78
Rot. Bonds5

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

1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-5-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide (PubChem CID 42324218) has the molecular formula C21H19FN6OS and a molecular weight of 422.49 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-5-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-5-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide
PubChem CID42324218
Molecular FormulaC21H19FN6OS
Molecular Weight422.49 g/mol
Exact Mass422.13
IUPAC Name1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-5-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide
SMILESCc1nc(CNC(=O)c2cnn(-c3ncc(C)c(-c4ccc(F)cc4)n3)c2C)cs1
InChIInChI=1S/C21H19FN6OS/c1-12-8-24-21(27-19(12)15-4-6-16(22)7-5-15)28-13(2)18(10-25-28)20(29)23-9-17-11-30-14(3)26-17/h4-8,10-11H,9H2,1-3H3,(H,23,29)
InChIKeyIHVMGQFYSNVMRU-UHFFFAOYSA-N
XLogP3.78
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-phenylpyrazole-4-carboxamide
CID 108737353
N-ethyl-1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-5-thiophen-2-ylpyrazole-4-carboxamide
CID 26352902
N-(2,2-dimethyloxan-4-yl)-1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-5-methylpyrazole-4-carboxamide
CID 45187802
N-[(2,3-dimethoxyphenyl)methyl]-5-methyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide
CID 42238978
1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-N,5-dimethyl-N-(oxolan-3-yl)pyrazole-4-carboxamide
CID 45166835
1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-N,5-dimethyl-N-(quinolin-5-ylmethyl)pyrazole-4-carboxamide
CID 26354146
1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-N-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]-5-propan-2-ylpyrazole-4-carboxamide
CID 42168881
5-cyclopropyl-1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide
CID 118758369
iodomethyl 3-[[5-methyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carbonyl]amino]propanoate
CID 126711757
5-methyl-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]-1-phenylpyrazole-4-carboxamide
CID 108737493
5-cyclopropyl-1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide
CID 26352463
ethyl 1-[1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-5-propan-2-ylpyrazole-4-carbonyl]piperidine-4-carboxylate
CID 26326133

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-5-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide?
The IUPAC name of 1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-5-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide (CID 42324218) is 1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-5-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-5-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-5-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide is Cc1nc(CNC(=O)c2cnn(-c3ncc(C)c(-c4ccc(F)cc4)n3)c2C)cs1.
What is the InChIKey of 1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-5-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide?
The InChIKey is IHVMGQFYSNVMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN6OS/c1-12-8-24-21(27-19(12)15-4-6-16(22)7-5-15)28-13(2)18(10-25-28)20(29)23-9-17-11-30-14(3)26-17/h4-8,10-11H,9H2,1-3H3,(H,23,29).
What are the key properties of 1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-5-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide?
1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-5-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide has a molecular weight of 422.49 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-5-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 42324218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).