N-[1-[5-(dimethylamino)pyrimidin-2-yl]pyrazol-4-yl]-4-fluorobenzamide

C16H15FN6O — CID 53167935

IUPACN-[1-[5-(dimethylamino)pyrimidin-2-yl]pyrazol-4-yl]-4-fluorobenzamide
SMILESCN(C)c1cnc(-n2cc(NC(=O)c3ccc(F)cc3)cn2)nc1
InChIInChI=1S/C16H15FN6O/c1-22(2)14-8-18-16(19-9-14)23-10-13(7-20-23)21-15(24)11-3-5-12(17)6-4-11/h3-10H,1-2H3,(H,21,24)
InChIKeyPGRBRDFCDRZROB-UHFFFAOYSA-N
MW326.34 g/mol
LogP2.12
Rot. Bonds4

About N-[1-[5-(dimethylamino)pyrimidin-2-yl]pyrazol-4-yl]-4-fluorobenzamide

N-[1-[5-(dimethylamino)pyrimidin-2-yl]pyrazol-4-yl]-4-fluorobenzamide (PubChem CID 53167935) has the molecular formula C16H15FN6O and a molecular weight of 326.34 g/mol. Its IUPAC name is N-[1-[5-(dimethylamino)pyrimidin-2-yl]pyrazol-4-yl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[1-[5-(dimethylamino)pyrimidin-2-yl]pyrazol-4-yl]-4-fluorobenzamide
PubChem CID53167935
Molecular FormulaC16H15FN6O
Molecular Weight326.34 g/mol
Exact Mass326.13
IUPAC NameN-[1-[5-(dimethylamino)pyrimidin-2-yl]pyrazol-4-yl]-4-fluorobenzamide
SMILESCN(C)c1cnc(-n2cc(NC(=O)c3ccc(F)cc3)cn2)nc1
InChIInChI=1S/C16H15FN6O/c1-22(2)14-8-18-16(19-9-14)23-10-13(7-20-23)21-15(24)11-3-5-12(17)6-4-11/h3-10H,1-2H3,(H,21,24)
InChIKeyPGRBRDFCDRZROB-UHFFFAOYSA-N
XLogP2.12
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.34
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-cyano-N-[1-[5-(dimethylamino)pyrimidin-2-yl]pyrazol-4-yl]benzamide
CID 53167933
4-fluoro-N-(1-methylpyrazol-4-yl)benzamide
CID 60749610
4-fluoro-N-pyrazolo[1,5-a]pyrimidin-6-ylbenzamide
CID 91629110
4-fluoro-N-[1-(5-thiomorpholin-4-ylpyrimidin-4-yl)pyrazol-4-yl]benzamide
CID 53190016
N-[1-(5-thiomorpholin-4-ylpyrimidin-2-yl)pyrazol-4-yl]-4-(trifluoromethyl)benzamide
CID 53168039
N-[1-[5-(dimethylamino)pyrimidin-2-yl]pyrazol-4-yl]-3-(3-methoxyphenyl)propanamide
CID 53167940
N-[1-(ethoxymethyl)pyrazol-4-yl]-4-fluorobenzamide
CID 19340648
N-[1-[5-(dimethylamino)pyrimidin-4-yl]pyrazol-4-yl]-4-methoxybenzamide
CID 53190037
4-fluoro-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19338140
4-(dimethylamino)-N'-(4-fluorobenzoyl)benzohydrazide
CID 3914670
4-ethyl-N-(2-pyrazol-1-ylpyrimidin-5-yl)benzamide
CID 71789784
3,4-difluoro-N-(2-pyrazol-1-ylpyrimidin-5-yl)benzamide
CID 122300235

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(dimethylamino)pyrimidin-2-yl]pyrazol-4-yl]-4-fluorobenzamide?
The IUPAC name of N-[1-[5-(dimethylamino)pyrimidin-2-yl]pyrazol-4-yl]-4-fluorobenzamide (CID 53167935) is N-[1-[5-(dimethylamino)pyrimidin-2-yl]pyrazol-4-yl]-4-fluorobenzamide.
What is the SMILES notation for N-[1-[5-(dimethylamino)pyrimidin-2-yl]pyrazol-4-yl]-4-fluorobenzamide?
The canonical SMILES for N-[1-[5-(dimethylamino)pyrimidin-2-yl]pyrazol-4-yl]-4-fluorobenzamide is CN(C)c1cnc(-n2cc(NC(=O)c3ccc(F)cc3)cn2)nc1.
What is the InChIKey of N-[1-[5-(dimethylamino)pyrimidin-2-yl]pyrazol-4-yl]-4-fluorobenzamide?
The InChIKey is PGRBRDFCDRZROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN6O/c1-22(2)14-8-18-16(19-9-14)23-10-13(7-20-23)21-15(24)11-3-5-12(17)6-4-11/h3-10H,1-2H3,(H,21,24).
What are the key properties of N-[1-[5-(dimethylamino)pyrimidin-2-yl]pyrazol-4-yl]-4-fluorobenzamide?
N-[1-[5-(dimethylamino)pyrimidin-2-yl]pyrazol-4-yl]-4-fluorobenzamide has a molecular weight of 326.34 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(dimethylamino)pyrimidin-2-yl]pyrazol-4-yl]-4-fluorobenzamide is sourced from PubChem (CID 53167935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).