N-(3-chloro-5-methyl-1H-pyrazol-4-yl)-5-fluoro-2-hydroxy-4-[6-(1-hydroxyethyl)-5-methylpyrazin-2-yl]benzamide

C18H17ClFN5O3 — CID 156722593

IUPACN-(3-chloro-5-methyl-1H-pyrazol-4-yl)-5-fluoro-2-hydroxy-4-[6-(1-hydroxyethyl)-5-methylpyrazin-2-yl]benzamide
SMILESCc1ncc(-c2cc(O)c(C(=O)Nc3c(Cl)n[nH]c3C)cc2F)nc1C(C)O
InChIInChI=1S/C18H17ClFN5O3/c1-7-15(9(3)26)22-13(6-21-7)10-5-14(27)11(4-12(10)20)18(28)23-16-8(2)24-25-17(16)19/h4-6,9,26-27H,1-3H3,(H,23,28)(H,24,25)
InChIKeyLNGBDPZSVXWXKP-UHFFFAOYSA-N
MW405.82 g/mol
LogP3.29
Rot. Bonds4

About N-(3-chloro-5-methyl-1H-pyrazol-4-yl)-5-fluoro-2-hydroxy-4-[6-(1-hydroxyethyl)-5-methylpyrazin-2-yl]benzamide

N-(3-chloro-5-methyl-1H-pyrazol-4-yl)-5-fluoro-2-hydroxy-4-[6-(1-hydroxyethyl)-5-methylpyrazin-2-yl]benzamide (PubChem CID 156722593) has the molecular formula C18H17ClFN5O3 and a molecular weight of 405.82 g/mol. Its IUPAC name is N-(3-chloro-5-methyl-1H-pyrazol-4-yl)-5-fluoro-2-hydroxy-4-[6-(1-hydroxyethyl)-5-methylpyrazin-2-yl]benzamide.

Molecular Properties

Compound NameN-(3-chloro-5-methyl-1H-pyrazol-4-yl)-5-fluoro-2-hydroxy-4-[6-(1-hydroxyethyl)-5-methylpyrazin-2-yl]benzamide
PubChem CID156722593
Molecular FormulaC18H17ClFN5O3
Molecular Weight405.82 g/mol
Exact Mass405.10
IUPAC NameN-(3-chloro-5-methyl-1H-pyrazol-4-yl)-5-fluoro-2-hydroxy-4-[6-(1-hydroxyethyl)-5-methylpyrazin-2-yl]benzamide
SMILESCc1ncc(-c2cc(O)c(C(=O)Nc3c(Cl)n[nH]c3C)cc2F)nc1C(C)O
InChIInChI=1S/C18H17ClFN5O3/c1-7-15(9(3)26)22-13(6-21-7)10-5-14(27)11(4-12(10)20)18(28)23-16-8(2)24-25-17(16)19/h4-6,9,26-27H,1-3H3,(H,23,28)(H,24,25)
InChIKeyLNGBDPZSVXWXKP-UHFFFAOYSA-N
XLogP3.29
TPSA124.02 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.82
LogP ≤ 53.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chloro-5-methyl-1H-pyrazol-4-yl)-5-fluoro-2-hydroxy-4-[6-(1-hydroxyethyl)-5-methoxypyrazin-2-yl]benzamide
CID 170446182
N-(3-chloro-5-methyl-1H-pyrazol-4-yl)-4-(5-cyclopropylpyrazin-2-yl)-5-fluoro-2-(1,1,1-trifluoropropan-2-yloxy)benzamide
CID 171574226
4-(4-amino-5-methyl-2-pyridinyl)-N-(3-chloro-5-methyl-1H-pyrazol-4-yl)-5-fluoro-2-(2,2,2-trifluoroethoxy)benzamide
CID 156722381
N-(3-chloro-5-methyl-1H-pyrazol-4-yl)-5-fluoro-4-[2-(2-hydroxypropan-2-yl)-1-methylimidazol-4-yl]-2-(1,1,1-trifluoropropan-2-yloxy)benzamide
CID 171574220
N-(3-chloro-5-methylpyrazolidin-4-yl)-5-fluoro-4-[6-(1-hydroxyethyl)-5-methylpyrazin-2-yl]-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxybenzamide
CID 171918965
N-(2-chloro-4-methyl-3-pyridinyl)-5-fluoro-2-hydroxy-4-(5-methyl-2-pyridinyl)benzamide;1,1,1-trifluoropropane
CID 156722546
(E)-3-amino-2-[[5-fluoro-4-[6-(1-hydroxyethyl)-5-methylpyrazin-2-yl]-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxybenzoyl]amino]but-2-enimidoyl chloride
CID 171574222
5-fluoro-4-[2-(1-hydroxyethyl)-1-methylimidazol-4-yl]-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-2-(1,1,1-trifluoropropan-2-yloxy)benzamide
CID 174233755
2-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)pyridine-3-carboxamide
CID 43547697
3-amino-2-[[5-fluoro-2-hydroxy-4-[5-methoxy-6-(1-nitrosoethyl)pyrazin-2-yl]benzoyl]amino]but-2-enimidoyl chloride
CID 174157020
N-(3-chloro-5-methyl-1H-pyrazol-4-yl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-5-fluoro-2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carboxamide
CID 154983963
N-[3-(2-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-2,4-difluorobenzamide
CID 42687165

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-5-methyl-1H-pyrazol-4-yl)-5-fluoro-2-hydroxy-4-[6-(1-hydroxyethyl)-5-methylpyrazin-2-yl]benzamide?
The IUPAC name of N-(3-chloro-5-methyl-1H-pyrazol-4-yl)-5-fluoro-2-hydroxy-4-[6-(1-hydroxyethyl)-5-methylpyrazin-2-yl]benzamide (CID 156722593) is N-(3-chloro-5-methyl-1H-pyrazol-4-yl)-5-fluoro-2-hydroxy-4-[6-(1-hydroxyethyl)-5-methylpyrazin-2-yl]benzamide.
What is the SMILES notation for N-(3-chloro-5-methyl-1H-pyrazol-4-yl)-5-fluoro-2-hydroxy-4-[6-(1-hydroxyethyl)-5-methylpyrazin-2-yl]benzamide?
The canonical SMILES for N-(3-chloro-5-methyl-1H-pyrazol-4-yl)-5-fluoro-2-hydroxy-4-[6-(1-hydroxyethyl)-5-methylpyrazin-2-yl]benzamide is Cc1ncc(-c2cc(O)c(C(=O)Nc3c(Cl)n[nH]c3C)cc2F)nc1C(C)O.
What is the InChIKey of N-(3-chloro-5-methyl-1H-pyrazol-4-yl)-5-fluoro-2-hydroxy-4-[6-(1-hydroxyethyl)-5-methylpyrazin-2-yl]benzamide?
The InChIKey is LNGBDPZSVXWXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClFN5O3/c1-7-15(9(3)26)22-13(6-21-7)10-5-14(27)11(4-12(10)20)18(28)23-16-8(2)24-25-17(16)19/h4-6,9,26-27H,1-3H3,(H,23,28)(H,24,25).
What are the key properties of N-(3-chloro-5-methyl-1H-pyrazol-4-yl)-5-fluoro-2-hydroxy-4-[6-(1-hydroxyethyl)-5-methylpyrazin-2-yl]benzamide?
N-(3-chloro-5-methyl-1H-pyrazol-4-yl)-5-fluoro-2-hydroxy-4-[6-(1-hydroxyethyl)-5-methylpyrazin-2-yl]benzamide has a molecular weight of 405.82 g/mol, XLogP of 3.29, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-5-methyl-1H-pyrazol-4-yl)-5-fluoro-2-hydroxy-4-[6-(1-hydroxyethyl)-5-methylpyrazin-2-yl]benzamide is sourced from PubChem (CID 156722593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).