N-(2-chloro-4-fluorophenyl)-3-[1-[6-(dimethylamino)pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propanamide

C20H22ClFN6O — CID 53006375

IUPACN-(2-chloro-4-fluorophenyl)-3-[1-[6-(dimethylamino)pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propanamide
SMILESCc1nn(-c2cc(N(C)C)ncn2)c(C)c1CCC(=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C20H22ClFN6O/c1-12-15(6-8-20(29)25-17-7-5-14(22)9-16(17)21)13(2)28(26-12)19-10-18(27(3)4)23-11-24-19/h5,7,9-11H,6,8H2,1-4H3,(H,25,29)
InChIKeyRLTZIFJDVUVPBR-UHFFFAOYSA-N
MW416.89 g/mol
LogP3.71
Rot. Bonds6

About N-(2-chloro-4-fluorophenyl)-3-[1-[6-(dimethylamino)pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propanamide

N-(2-chloro-4-fluorophenyl)-3-[1-[6-(dimethylamino)pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propanamide (PubChem CID 53006375) has the molecular formula C20H22ClFN6O and a molecular weight of 416.89 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-3-[1-[6-(dimethylamino)pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propanamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-3-[1-[6-(dimethylamino)pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propanamide
PubChem CID53006375
Molecular FormulaC20H22ClFN6O
Molecular Weight416.89 g/mol
Exact Mass416.15
IUPAC NameN-(2-chloro-4-fluorophenyl)-3-[1-[6-(dimethylamino)pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propanamide
SMILESCc1nn(-c2cc(N(C)C)ncn2)c(C)c1CCC(=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C20H22ClFN6O/c1-12-15(6-8-20(29)25-17-7-5-14(22)9-16(17)21)13(2)28(26-12)19-10-18(27(3)4)23-11-24-19/h5,7,9-11H,6,8H2,1-4H3,(H,25,29)
InChIKeyRLTZIFJDVUVPBR-UHFFFAOYSA-N
XLogP3.71
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.89
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[1-[6-(dimethylamino)pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]-N-(3,5-dimethylphenyl)propanamide
CID 53069666
N-(3-chloro-4-methoxyphenyl)-3-[1-[6-(dimethylamino)pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propanamide
CID 53069687
N-benzyl-3-[1-[6-(dimethylamino)pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propanamide
CID 53069636
N-(2-chlorophenyl)-3-[3,5-dimethyl-1-(6-piperidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]propanamide
CID 53069471
3-[1-[6-(dimethylamino)pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 53069654
N-(2,4-difluorophenyl)-3-[3,5-dimethyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]propanamide
CID 53009086
N-(2,4-dimethylphenyl)-3-[3,5-dimethyl-1-(6-piperidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]propanamide
CID 53069503
3-[3,5-dimethyl-1-(6-piperidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]-N-(3-fluorophenyl)propanamide
CID 53069490
3-[3,5-dimethyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]-N-(5-fluoro-2-methylphenyl)propanamide
CID 53093115
3-[3,5-dimethyl-1-(6-piperidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 53069462
N-(2,4-dichlorophenyl)-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide
CID 24502572
N-(4-bromophenyl)-3-[3,5-dimethyl-1-(6-piperidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]propanamide
CID 53069539

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-3-[1-[6-(dimethylamino)pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propanamide?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-3-[1-[6-(dimethylamino)pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propanamide (CID 53006375) is N-(2-chloro-4-fluorophenyl)-3-[1-[6-(dimethylamino)pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propanamide.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-3-[1-[6-(dimethylamino)pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propanamide?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-3-[1-[6-(dimethylamino)pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propanamide is Cc1nn(-c2cc(N(C)C)ncn2)c(C)c1CCC(=O)Nc1ccc(F)cc1Cl.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-3-[1-[6-(dimethylamino)pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propanamide?
The InChIKey is RLTZIFJDVUVPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClFN6O/c1-12-15(6-8-20(29)25-17-7-5-14(22)9-16(17)21)13(2)28(26-12)19-10-18(27(3)4)23-11-24-19/h5,7,9-11H,6,8H2,1-4H3,(H,25,29).
What are the key properties of N-(2-chloro-4-fluorophenyl)-3-[1-[6-(dimethylamino)pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propanamide?
N-(2-chloro-4-fluorophenyl)-3-[1-[6-(dimethylamino)pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propanamide has a molecular weight of 416.89 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluorophenyl)-3-[1-[6-(dimethylamino)pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propanamide is sourced from PubChem (CID 53006375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).