N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide

C23H23FN6O — CID 56550345

IUPACN-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2cc(C(C)(C)C)nn2-c2ccccn2)cnn1-c1ccccc1F
InChIInChI=1S/C23H23FN6O/c1-15-16(14-26-29(15)18-10-6-5-9-17(18)24)22(31)27-21-13-19(23(2,3)4)28-30(21)20-11-7-8-12-25-20/h5-14H,1-4H3,(H,27,31)
InChIKeyOIRNGPVOAOYJER-UHFFFAOYSA-N
MW418.48 g/mol
LogP4.45
Rot. Bonds4

About N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide

N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide (PubChem CID 56550345) has the molecular formula C23H23FN6O and a molecular weight of 418.48 g/mol. Its IUPAC name is N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
PubChem CID56550345
Molecular FormulaC23H23FN6O
Molecular Weight418.48 g/mol
Exact Mass418.19
IUPAC NameN-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2cc(C(C)(C)C)nn2-c2ccccn2)cnn1-c1ccccc1F
InChIInChI=1S/C23H23FN6O/c1-15-16(14-26-29(15)18-10-6-5-9-17(18)24)22(31)27-21-13-19(23(2,3)4)28-30(21)20-11-7-8-12-25-20/h5-14H,1-4H3,(H,27,31)
InChIKeyOIRNGPVOAOYJER-UHFFFAOYSA-N
XLogP4.45
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.48
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-bromo-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-5-fluorobenzamide
CID 56550955
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2,4-dichlorobenzamide
CID 56531728
N-(2-fluorophenyl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 15944125
1-(2-fluorophenyl)-N-(3-hydroxy-2-pyridinyl)-5-methylpyrazole-4-carboxamide
CID 134026230
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-ethoxybenzamide
CID 56531789
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2-oxo-1H-quinoline-4-carboxamide
CID 56531739
1-(2-fluorophenyl)-5-methyl-N-(4-methylphenyl)pyrazole-4-carboxamide
CID 33398860
N-(2,5-difluorophenyl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 24825171
N-(3,4-dichlorophenyl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 34735906
N-tert-butyl-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 47166966
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-3-(2-fluorophenyl)sulfanylpropanamide
CID 56531405
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide
CID 56551211

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide?
The IUPAC name of N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide (CID 56550345) is N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide?
The canonical SMILES for N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide is Cc1c(C(=O)Nc2cc(C(C)(C)C)nn2-c2ccccn2)cnn1-c1ccccc1F.
What is the InChIKey of N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide?
The InChIKey is OIRNGPVOAOYJER-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN6O/c1-15-16(14-26-29(15)18-10-6-5-9-17(18)24)22(31)27-21-13-19(23(2,3)4)28-30(21)20-11-7-8-12-25-20/h5-14H,1-4H3,(H,27,31).
What are the key properties of N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide?
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide has a molecular weight of 418.48 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide is sourced from PubChem (CID 56550345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).