N-(2-bicyclo[2.2.1]heptanyl)-3-(2-fluoro-4-methoxyphenyl)-1-methylpyrazole-5-carboxamide

C19H22FN3O2 — CID 46105532

IUPACN-(2-bicyclo[2.2.1]heptanyl)-3-(2-fluoro-4-methoxyphenyl)-1-methylpyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NC3CC4CCC3C4)n(C)n2)c(F)c1
InChIInChI=1S/C19H22FN3O2/c1-23-18(19(24)21-16-8-11-3-4-12(16)7-11)10-17(22-23)14-6-5-13(25-2)9-15(14)20/h5-6,9-12,16H,3-4,7-8H2,1-2H3,(H,21,24)
InChIKeyMWAZNJSTVXRSGR-UHFFFAOYSA-N
MW343.40 g/mol
LogP3.15
Rot. Bonds4

About N-(2-bicyclo[2.2.1]heptanyl)-3-(2-fluoro-4-methoxyphenyl)-1-methylpyrazole-5-carboxamide

N-(2-bicyclo[2.2.1]heptanyl)-3-(2-fluoro-4-methoxyphenyl)-1-methylpyrazole-5-carboxamide (PubChem CID 46105532) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanyl)-3-(2-fluoro-4-methoxyphenyl)-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanyl)-3-(2-fluoro-4-methoxyphenyl)-1-methylpyrazole-5-carboxamide
PubChem CID46105532
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC NameN-(2-bicyclo[2.2.1]heptanyl)-3-(2-fluoro-4-methoxyphenyl)-1-methylpyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NC3CC4CCC3C4)n(C)n2)c(F)c1
InChIInChI=1S/C19H22FN3O2/c1-23-18(19(24)21-16-8-11-3-4-12(16)7-11)10-17(22-23)14-6-5-13(25-2)9-15(14)20/h5-6,9-12,16H,3-4,7-8H2,1-2H3,(H,21,24)
InChIKeyMWAZNJSTVXRSGR-UHFFFAOYSA-N
XLogP3.15
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-3-(2-fluoro-4-methoxyphenyl)-1-methylpyrazole-5-carboxamide?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-3-(2-fluoro-4-methoxyphenyl)-1-methylpyrazole-5-carboxamide (CID 46105532) is N-(2-bicyclo[2.2.1]heptanyl)-3-(2-fluoro-4-methoxyphenyl)-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanyl)-3-(2-fluoro-4-methoxyphenyl)-1-methylpyrazole-5-carboxamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanyl)-3-(2-fluoro-4-methoxyphenyl)-1-methylpyrazole-5-carboxamide is COc1ccc(-c2cc(C(=O)NC3CC4CCC3C4)n(C)n2)c(F)c1.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanyl)-3-(2-fluoro-4-methoxyphenyl)-1-methylpyrazole-5-carboxamide?
The InChIKey is MWAZNJSTVXRSGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O2/c1-23-18(19(24)21-16-8-11-3-4-12(16)7-11)10-17(22-23)14-6-5-13(25-2)9-15(14)20/h5-6,9-12,16H,3-4,7-8H2,1-2H3,(H,21,24).
What are the key properties of N-(2-bicyclo[2.2.1]heptanyl)-3-(2-fluoro-4-methoxyphenyl)-1-methylpyrazole-5-carboxamide?
N-(2-bicyclo[2.2.1]heptanyl)-3-(2-fluoro-4-methoxyphenyl)-1-methylpyrazole-5-carboxamide has a molecular weight of 343.40 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanyl)-3-(2-fluoro-4-methoxyphenyl)-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 46105532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).