3-(5-fluoro-2-methoxyphenyl)-N-pyridin-3-yl-1H-pyrazole-5-carboxamide

C16H13FN4O2 — CID 46948039

IUPAC3-(5-fluoro-2-methoxyphenyl)-N-pyridin-3-yl-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(F)cc1-c1cc(C(=O)Nc2cccnc2)[nH]n1
InChIInChI=1S/C16H13FN4O2/c1-23-15-5-4-10(17)7-12(15)13-8-14(21-20-13)16(22)19-11-3-2-6-18-9-11/h2-9H,1H3,(H,19,22)(H,20,21)
InChIKeyOGHGSLUCRICALJ-UHFFFAOYSA-N
MW312.30 g/mol
LogP2.87
Rot. Bonds4

About 3-(5-fluoro-2-methoxyphenyl)-N-pyridin-3-yl-1H-pyrazole-5-carboxamide

3-(5-fluoro-2-methoxyphenyl)-N-pyridin-3-yl-1H-pyrazole-5-carboxamide (PubChem CID 46948039) has the molecular formula C16H13FN4O2 and a molecular weight of 312.30 g/mol. Its IUPAC name is 3-(5-fluoro-2-methoxyphenyl)-N-pyridin-3-yl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(5-fluoro-2-methoxyphenyl)-N-pyridin-3-yl-1H-pyrazole-5-carboxamide
PubChem CID46948039
Molecular FormulaC16H13FN4O2
Molecular Weight312.30 g/mol
Exact Mass312.10
IUPAC Name3-(5-fluoro-2-methoxyphenyl)-N-pyridin-3-yl-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(F)cc1-c1cc(C(=O)Nc2cccnc2)[nH]n1
InChIInChI=1S/C16H13FN4O2/c1-23-15-5-4-10(17)7-12(15)13-8-14(21-20-13)16(22)19-11-3-2-6-18-9-11/h2-9H,1H3,(H,19,22)(H,20,21)
InChIKeyOGHGSLUCRICALJ-UHFFFAOYSA-N
XLogP2.87
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2-methoxyphenyl)-N-pyridin-3-yl-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(5-fluoro-2-methoxyphenyl)-N-pyridin-3-yl-1H-pyrazole-5-carboxamide (CID 46948039) is 3-(5-fluoro-2-methoxyphenyl)-N-pyridin-3-yl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(5-fluoro-2-methoxyphenyl)-N-pyridin-3-yl-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(5-fluoro-2-methoxyphenyl)-N-pyridin-3-yl-1H-pyrazole-5-carboxamide is COc1ccc(F)cc1-c1cc(C(=O)Nc2cccnc2)[nH]n1.
What is the InChIKey of 3-(5-fluoro-2-methoxyphenyl)-N-pyridin-3-yl-1H-pyrazole-5-carboxamide?
The InChIKey is OGHGSLUCRICALJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O2/c1-23-15-5-4-10(17)7-12(15)13-8-14(21-20-13)16(22)19-11-3-2-6-18-9-11/h2-9H,1H3,(H,19,22)(H,20,21).
What are the key properties of 3-(5-fluoro-2-methoxyphenyl)-N-pyridin-3-yl-1H-pyrazole-5-carboxamide?
3-(5-fluoro-2-methoxyphenyl)-N-pyridin-3-yl-1H-pyrazole-5-carboxamide has a molecular weight of 312.30 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-2-methoxyphenyl)-N-pyridin-3-yl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 46948039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).