N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide

C24H22FN5O3 — CID 24516176

IUPACN-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
SMILESCOCCn1nc(C(=O)NCc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)ccc1=O
InChIInChI=1S/C24H22FN5O3/c1-33-14-13-29-22(31)12-11-21(27-29)24(32)26-15-18-16-30(20-5-3-2-4-6-20)28-23(18)17-7-9-19(25)10-8-17/h2-12,16H,13-15H2,1H3,(H,26,32)
InChIKeyJVRSQGBNLSCXCN-UHFFFAOYSA-N
MW447.47 g/mol
LogP2.81
Rot. Bonds8

About N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide

N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide (PubChem CID 24516176) has the molecular formula C24H22FN5O3 and a molecular weight of 447.47 g/mol. Its IUPAC name is N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
PubChem CID24516176
Molecular FormulaC24H22FN5O3
Molecular Weight447.47 g/mol
Exact Mass447.17
IUPAC NameN-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
SMILESCOCCn1nc(C(=O)NCc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)ccc1=O
InChIInChI=1S/C24H22FN5O3/c1-33-14-13-29-22(31)12-11-21(27-29)24(32)26-15-18-16-30(20-5-3-2-4-6-20)28-23(18)17-7-9-19(25)10-8-17/h2-12,16H,13-15H2,1H3,(H,26,32)
InChIKeyJVRSQGBNLSCXCN-UHFFFAOYSA-N
XLogP2.81
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.47
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2-ethoxyphenyl)methyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 60565821
N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 18228691
N-(4-fluorophenyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 36676962
N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-6-methylpyridine-3-carboxamide
CID 46511717
2-(5-acetyl-2-methoxyphenyl)-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]acetamide
CID 24504119
N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-2-nitrobenzamide
CID 24516164
N-[(1,3-diphenylpyrazol-4-yl)methyl]-1,5-dimethylpyrazole-3-carboxamide
CID 19279614
1-[(4-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-6-oxopyridazine-3-carboxamide
CID 27376568
1-(2-methoxyethyl)-6-oxo-N-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 32934057
3-ethyl-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 8589814
2-[cyclopropanecarbonyl(methyl)amino]-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]benzamide
CID 46494346
2-(cyclopropylmethylamino)-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]acetamide;hydrochloride
CID 119694555

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide (CID 24516176) is N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide is COCCn1nc(C(=O)NCc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)ccc1=O.
What is the InChIKey of N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide?
The InChIKey is JVRSQGBNLSCXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O3/c1-33-14-13-29-22(31)12-11-21(27-29)24(32)26-15-18-16-30(20-5-3-2-4-6-20)28-23(18)17-7-9-19(25)10-8-17/h2-12,16H,13-15H2,1H3,(H,26,32).
What are the key properties of N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide?
N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide has a molecular weight of 447.47 g/mol, XLogP of 2.81, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 24516176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).