N,N-diethyl-5-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]-1-phenylpyrazole-4-carboxamide

C24H23FN6O — CID 108778539

IUPACN,N-diethyl-5-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]-1-phenylpyrazole-4-carboxamide
SMILESCCN(CC)C(=O)c1cnn(-c2ccccc2)c1Nc1ccc(-c2ccc(F)cc2)nn1
InChIInChI=1S/C24H23FN6O/c1-3-30(4-2)24(32)20-16-26-31(19-8-6-5-7-9-19)23(20)27-22-15-14-21(28-29-22)17-10-12-18(25)13-11-17/h5-16H,3-4H2,1-2H3,(H,27,29)
InChIKeyWKSHJALBEZFZTE-UHFFFAOYSA-N
MW430.49 g/mol
LogP4.69
Rot. Bonds7

About N,N-diethyl-5-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]-1-phenylpyrazole-4-carboxamide

N,N-diethyl-5-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]-1-phenylpyrazole-4-carboxamide (PubChem CID 108778539) has the molecular formula C24H23FN6O and a molecular weight of 430.49 g/mol. Its IUPAC name is N,N-diethyl-5-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-5-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]-1-phenylpyrazole-4-carboxamide
PubChem CID108778539
Molecular FormulaC24H23FN6O
Molecular Weight430.49 g/mol
Exact Mass430.19
IUPAC NameN,N-diethyl-5-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]-1-phenylpyrazole-4-carboxamide
SMILESCCN(CC)C(=O)c1cnn(-c2ccccc2)c1Nc1ccc(-c2ccc(F)cc2)nn1
InChIInChI=1S/C24H23FN6O/c1-3-30(4-2)24(32)20-16-26-31(19-8-6-5-7-9-19)23(20)27-22-15-14-21(28-29-22)17-10-12-18(25)13-11-17/h5-16H,3-4H2,1-2H3,(H,27,29)
InChIKeyWKSHJALBEZFZTE-UHFFFAOYSA-N
XLogP4.69
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.49
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-diethyl-1-phenyl-5-(propanoylamino)pyrazole-4-carboxamide
CID 108746073
N,N-diethyl-5-(3-methylbutanoylamino)-1-phenylpyrazole-4-carboxamide
CID 108768330
ethyl N-[4-(diethylcarbamoyl)-1-phenylpyrazol-5-yl]carbamate
CID 108746081
N,N-diethyl-1-phenyl-5-propan-2-ylpyrazole-4-carboxamide
CID 11403408
5-(1,3-benzoxazol-2-ylamino)-N,N-diethyl-1-phenylpyrazole-4-carboxamide
CID 108778548
5-(cyclopropanecarbonylamino)-N,N-diethyl-1-phenylpyrazole-4-carboxamide
CID 108746029
N-[4-(diethylcarbamoyl)-1-phenylpyrazol-5-yl]pyridine-2-carboxamide
CID 108746061
N,N-diethyl-1-phenyl-5-[(4-propan-2-ylbenzoyl)amino]pyrazole-4-carboxamide
CID 108746075
5-[(4-chlorobenzoyl)amino]-N,N-diethyl-1-phenylpyrazole-4-carboxamide
CID 108768336
5-[(5-bromofuran-2-carbonyl)amino]-N,N-diethyl-1-phenylpyrazole-4-carboxamide
CID 108768353
butyl N-[4-(diethylcarbamoyl)-1-phenylpyrazol-5-yl]carbamate
CID 108746083
5-[(5-benzyl-2,6-dimethylpyrimidin-4-yl)amino]-N,N-diethyl-1-phenylpyrazole-4-carboxamide
CID 108778566

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N,N-diethyl-5-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]-1-phenylpyrazole-4-carboxamide (CID 108778539) is N,N-diethyl-5-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N,N-diethyl-5-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N,N-diethyl-5-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]-1-phenylpyrazole-4-carboxamide is CCN(CC)C(=O)c1cnn(-c2ccccc2)c1Nc1ccc(-c2ccc(F)cc2)nn1.
What is the InChIKey of N,N-diethyl-5-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]-1-phenylpyrazole-4-carboxamide?
The InChIKey is WKSHJALBEZFZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN6O/c1-3-30(4-2)24(32)20-16-26-31(19-8-6-5-7-9-19)23(20)27-22-15-14-21(28-29-22)17-10-12-18(25)13-11-17/h5-16H,3-4H2,1-2H3,(H,27,29).
What are the key properties of N,N-diethyl-5-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]-1-phenylpyrazole-4-carboxamide?
N,N-diethyl-5-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]-1-phenylpyrazole-4-carboxamide has a molecular weight of 430.49 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 108778539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).