4-bromo-N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide

C18H16BrFN4O2 — CID 56567515

IUPAC4-bromo-N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCC(C)c1[nH]nc(C(=O)Nc2ccc(Oc3ccc(F)cc3)nc2)c1Br
InChIInChI=1S/C18H16BrFN4O2/c1-10(2)16-15(19)17(24-23-16)18(25)22-12-5-8-14(21-9-12)26-13-6-3-11(20)4-7-13/h3-10H,1-2H3,(H,22,25)(H,23,24)
InChIKeyLPKXKOLLSXWSQE-UHFFFAOYSA-N
MW419.25 g/mol
LogP4.87
Rot. Bonds5

About 4-bromo-N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide

4-bromo-N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 56567515) has the molecular formula C18H16BrFN4O2 and a molecular weight of 419.25 g/mol. Its IUPAC name is 4-bromo-N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
PubChem CID56567515
Molecular FormulaC18H16BrFN4O2
Molecular Weight419.25 g/mol
Exact Mass418.04
IUPAC Name4-bromo-N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCC(C)c1[nH]nc(C(=O)Nc2ccc(Oc3ccc(F)cc3)nc2)c1Br
InChIInChI=1S/C18H16BrFN4O2/c1-10(2)16-15(19)17(24-23-16)18(25)22-12-5-8-14(21-9-12)26-13-6-3-11(20)4-7-13/h3-10H,1-2H3,(H,22,25)(H,23,24)
InChIKeyLPKXKOLLSXWSQE-UHFFFAOYSA-N
XLogP4.87
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.25
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-bromo-N-[6-(4-fluorophenoxy)-3-pyridinyl]propanamide
CID 6930724
4-bromo-N-[6-(4-fluorophenoxy)-3-pyridinyl]-3,5-dimethoxybenzamide
CID 55713973
4-bromo-N-[3-(4-fluorophenoxy)propyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56564910
N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-hydroxybutanamide
CID 110179642
2-amino-N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-methylpentanamide
CID 119849108
4-bromo-N-(2-phenoxyphenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56559943
1-[6-(4-tert-butylphenoxy)-3-pyridinyl]-3-(4-fluorophenyl)urea
CID 2814280
4-bromo-N-[4-(diethylamino)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56560029
3-(difluoromethoxy)-N-[6-(4-fluorophenoxy)-3-pyridinyl]benzamide
CID 55713821
4-bromo-N-(2-butoxyphenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56566879
N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-piperidin-4-ylbutanamide
CID 119849102
N-[6-(4-fluorophenoxy)-3-pyridinyl]cyclopropanecarboxamide
CID 117059029

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-bromo-N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide (CID 56567515) is 4-bromo-N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-bromo-N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-bromo-N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide is CC(C)c1[nH]nc(C(=O)Nc2ccc(Oc3ccc(F)cc3)nc2)c1Br.
What is the InChIKey of 4-bromo-N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is LPKXKOLLSXWSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrFN4O2/c1-10(2)16-15(19)17(24-23-16)18(25)22-12-5-8-14(21-9-12)26-13-6-3-11(20)4-7-13/h3-10H,1-2H3,(H,22,25)(H,23,24).
What are the key properties of 4-bromo-N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
4-bromo-N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 419.25 g/mol, XLogP of 4.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 56567515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).