3-(4-fluorophenyl)-N-(2-imidazol-1-ylpyrimidin-5-yl)-1-methylpyrazole-5-carboxamide

C18H14FN7O — CID 122300852

IUPAC3-(4-fluorophenyl)-N-(2-imidazol-1-ylpyrimidin-5-yl)-1-methylpyrazole-5-carboxamide
SMILESCn1nc(-c2ccc(F)cc2)cc1C(=O)Nc1cnc(-n2ccnc2)nc1
InChIInChI=1S/C18H14FN7O/c1-25-16(8-15(24-25)12-2-4-13(19)5-3-12)17(27)23-14-9-21-18(22-10-14)26-7-6-20-11-26/h2-11H,1H3,(H,23,27)
InChIKeyVVEOHCZXRSPOSR-UHFFFAOYSA-N
MW363.36 g/mol
LogP2.45
Rot. Bonds4

About 3-(4-fluorophenyl)-N-(2-imidazol-1-ylpyrimidin-5-yl)-1-methylpyrazole-5-carboxamide

3-(4-fluorophenyl)-N-(2-imidazol-1-ylpyrimidin-5-yl)-1-methylpyrazole-5-carboxamide (PubChem CID 122300852) has the molecular formula C18H14FN7O and a molecular weight of 363.36 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-(2-imidazol-1-ylpyrimidin-5-yl)-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-(2-imidazol-1-ylpyrimidin-5-yl)-1-methylpyrazole-5-carboxamide
PubChem CID122300852
Molecular FormulaC18H14FN7O
Molecular Weight363.36 g/mol
Exact Mass363.12
IUPAC Name3-(4-fluorophenyl)-N-(2-imidazol-1-ylpyrimidin-5-yl)-1-methylpyrazole-5-carboxamide
SMILESCn1nc(-c2ccc(F)cc2)cc1C(=O)Nc1cnc(-n2ccnc2)nc1
InChIInChI=1S/C18H14FN7O/c1-25-16(8-15(24-25)12-2-4-13(19)5-3-12)17(27)23-14-9-21-18(22-10-14)26-7-6-20-11-26/h2-11H,1H3,(H,23,27)
InChIKeyVVEOHCZXRSPOSR-UHFFFAOYSA-N
XLogP2.45
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.36
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-ethoxypyrimidin-5-yl)-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
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3-(4-fluorophenyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylpyrazole-5-carboxamide
CID 174832317
N-(4-cyanophenyl)-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
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N-(4-fluorophenyl)-1-methyl-3-(4-nitrophenyl)pyrazole-5-carboxamide
CID 771732
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
CID 174832381
3-(4-fluorophenyl)-1-methyl-N-(1,3-thiazol-2-yl)pyrazole-5-carboxamide
CID 121083918
N-(2-imidazol-1-ylpyrimidin-5-yl)-1-methyl-2-oxopyridine-3-carboxamide
CID 122300796
3-(4-fluorophenyl)-1-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)pyrazole-5-carboxamide
CID 121083931
1-methyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-3-pyridin-4-ylpyrazole-5-carboxamide
CID 166377452
3-(4-fluorophenyl)-1-methyl-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]pyrazole-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-(2-imidazol-1-ylpyrimidin-5-yl)-1-methylpyrazole-5-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-(2-imidazol-1-ylpyrimidin-5-yl)-1-methylpyrazole-5-carboxamide (CID 122300852) is 3-(4-fluorophenyl)-N-(2-imidazol-1-ylpyrimidin-5-yl)-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-(2-imidazol-1-ylpyrimidin-5-yl)-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-(2-imidazol-1-ylpyrimidin-5-yl)-1-methylpyrazole-5-carboxamide is Cn1nc(-c2ccc(F)cc2)cc1C(=O)Nc1cnc(-n2ccnc2)nc1.
What is the InChIKey of 3-(4-fluorophenyl)-N-(2-imidazol-1-ylpyrimidin-5-yl)-1-methylpyrazole-5-carboxamide?
The InChIKey is VVEOHCZXRSPOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN7O/c1-25-16(8-15(24-25)12-2-4-13(19)5-3-12)17(27)23-14-9-21-18(22-10-14)26-7-6-20-11-26/h2-11H,1H3,(H,23,27).
What are the key properties of 3-(4-fluorophenyl)-N-(2-imidazol-1-ylpyrimidin-5-yl)-1-methylpyrazole-5-carboxamide?
3-(4-fluorophenyl)-N-(2-imidazol-1-ylpyrimidin-5-yl)-1-methylpyrazole-5-carboxamide has a molecular weight of 363.36 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-(2-imidazol-1-ylpyrimidin-5-yl)-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 122300852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).