4-fluoro-2,5-dimethyl-N-pyridazin-4-yl-3H-pyrazole-4-carboxamide

C10H12FN5O — CID 151047488

IUPAC4-fluoro-2,5-dimethyl-N-pyridazin-4-yl-3H-pyrazole-4-carboxamide
SMILESCC1=NN(C)CC1(F)C(=O)Nc1ccnnc1
InChIInChI=1S/C10H12FN5O/c1-7-10(11,6-16(2)15-7)9(17)14-8-3-4-12-13-5-8/h3-5H,6H2,1-2H3,(H,12,14,17)
InChIKeyMDKCAZYZBLYTLU-UHFFFAOYSA-N
MW237.24 g/mol
LogP0.44
Rot. Bonds2

About 4-fluoro-2,5-dimethyl-N-pyridazin-4-yl-3H-pyrazole-4-carboxamide

4-fluoro-2,5-dimethyl-N-pyridazin-4-yl-3H-pyrazole-4-carboxamide (PubChem CID 151047488) has the molecular formula C10H12FN5O and a molecular weight of 237.24 g/mol. Its IUPAC name is 4-fluoro-2,5-dimethyl-N-pyridazin-4-yl-3H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name4-fluoro-2,5-dimethyl-N-pyridazin-4-yl-3H-pyrazole-4-carboxamide
PubChem CID151047488
Molecular FormulaC10H12FN5O
Molecular Weight237.24 g/mol
Exact Mass237.10
IUPAC Name4-fluoro-2,5-dimethyl-N-pyridazin-4-yl-3H-pyrazole-4-carboxamide
SMILESCC1=NN(C)CC1(F)C(=O)Nc1ccnnc1
InChIInChI=1S/C10H12FN5O/c1-7-10(11,6-16(2)15-7)9(17)14-8-3-4-12-13-5-8/h3-5H,6H2,1-2H3,(H,12,14,17)
InChIKeyMDKCAZYZBLYTLU-UHFFFAOYSA-N
XLogP0.44
TPSA70.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.24
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Propanamide, 2,2-dimethyl-N-4-pyridazinyl-
CID 10012501
methyl N-[(2S)-3-methyl-1-oxo-1-(pyridazin-4-ylamino)butan-2-yl]carbamate
CID 126828027
5-Methyl-1-(2,2,2-trifluoro-ethyl)-1H-pyrazole-4-carboxylic acid pyridazin-4-ylamide
CID 45255296
1-methyl-N-pyridazin-4-yl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 45255301
2-oxo-N-pyridazin-4-yl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 178739854
N-4-Pyridazinylacetamide
CID 23273413
5-(difluoromethyl)-1-methyl-N-pyridazin-4-ylpyrazole-4-carboxamide
CID 45255297
1-ethyl-N-pyridazin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 45255302
3-(difluoromethyl)-1-methyl-N-pyridazin-4-ylpyrazole-4-carboxamide
CID 45255885
1-methyl-N-pyridazin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 45256074
1-[2-(Pyridazin-4-ylamino)ethyl]piperazin-2-one
CID 53997267
2-methyl-N-pyridazin-4-ylprop-2-enamide
CID 59502647

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2,5-dimethyl-N-pyridazin-4-yl-3H-pyrazole-4-carboxamide?
The IUPAC name of 4-fluoro-2,5-dimethyl-N-pyridazin-4-yl-3H-pyrazole-4-carboxamide (CID 151047488) is 4-fluoro-2,5-dimethyl-N-pyridazin-4-yl-3H-pyrazole-4-carboxamide.
What is the SMILES notation for 4-fluoro-2,5-dimethyl-N-pyridazin-4-yl-3H-pyrazole-4-carboxamide?
The canonical SMILES for 4-fluoro-2,5-dimethyl-N-pyridazin-4-yl-3H-pyrazole-4-carboxamide is CC1=NN(C)CC1(F)C(=O)Nc1ccnnc1.
What is the InChIKey of 4-fluoro-2,5-dimethyl-N-pyridazin-4-yl-3H-pyrazole-4-carboxamide?
The InChIKey is MDKCAZYZBLYTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN5O/c1-7-10(11,6-16(2)15-7)9(17)14-8-3-4-12-13-5-8/h3-5H,6H2,1-2H3,(H,12,14,17).
What are the key properties of 4-fluoro-2,5-dimethyl-N-pyridazin-4-yl-3H-pyrazole-4-carboxamide?
4-fluoro-2,5-dimethyl-N-pyridazin-4-yl-3H-pyrazole-4-carboxamide has a molecular weight of 237.24 g/mol, XLogP of 0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2,5-dimethyl-N-pyridazin-4-yl-3H-pyrazole-4-carboxamide is sourced from PubChem (CID 151047488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).