1-(3-chloro-2-fluorophenyl)-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide

C20H14ClFN4O — CID 137375563

IUPAC1-(3-chloro-2-fluorophenyl)-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc3ccccc3n2)cnn1-c1cccc(Cl)c1F
InChIInChI=1S/C20H14ClFN4O/c1-12-14(11-23-26(12)17-8-4-6-15(21)19(17)22)20(27)25-18-10-9-13-5-2-3-7-16(13)24-18/h2-11H,1H3,(H,24,25,27)
InChIKeyOXQAGETYASBOBS-UHFFFAOYSA-N
MW380.81 g/mol
LogP4.77
Rot. Bonds3

About 1-(3-chloro-2-fluorophenyl)-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide

1-(3-chloro-2-fluorophenyl)-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide (PubChem CID 137375563) has the molecular formula C20H14ClFN4O and a molecular weight of 380.81 g/mol. Its IUPAC name is 1-(3-chloro-2-fluorophenyl)-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-chloro-2-fluorophenyl)-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide
PubChem CID137375563
Molecular FormulaC20H14ClFN4O
Molecular Weight380.81 g/mol
Exact Mass380.08
IUPAC Name1-(3-chloro-2-fluorophenyl)-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc3ccccc3n2)cnn1-c1cccc(Cl)c1F
InChIInChI=1S/C20H14ClFN4O/c1-12-14(11-23-26(12)17-8-4-6-15(21)19(17)22)20(27)25-18-10-9-13-5-2-3-7-16(13)24-18/h2-11H,1H3,(H,24,25,27)
InChIKeyOXQAGETYASBOBS-UHFFFAOYSA-N
XLogP4.77
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.81
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-fluorophenyl)-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide
CID 137375517
1-(2-Bromophenyl)-5-methyl-N-(quinolin-2-yl)-1H-pyrazole-4-carboxamide
CID 137375527
3,5-dimethyl-1-phenyl-N-quinolin-2-ylpyrazole-4-carboxamide
CID 51193529
4-[(3-chloro-N-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)anilino)methyl]-7,8-difluoro-1H-quinolin-2-one
CID 57398563
1-(2-bromo-6-fluorophenyl)-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide
CID 137375508
5-methyl-1-(3-methyl-2-pyridinyl)-N-quinolin-2-ylpyrazole-4-carboxamide
CID 137375516
1-(2,6-difluorophenyl)-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide
CID 137375530
1-(2,5-dimethylphenyl)-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide
CID 137375532
1H-Pyrazole-4-carboxamide, 5-methyl-1-phenyl-N-2-quinolinyl-
CID 137375534
5-ethyl-1-phenyl-N-quinolin-2-ylpyrazole-4-carboxamide
CID 137375539
1-(2-ethylphenyl)-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide
CID 137375541
1-(2,4-difluorophenyl)-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide
CID 137375577

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluorophenyl)-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide?
The IUPAC name of 1-(3-chloro-2-fluorophenyl)-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide (CID 137375563) is 1-(3-chloro-2-fluorophenyl)-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(3-chloro-2-fluorophenyl)-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 1-(3-chloro-2-fluorophenyl)-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide is Cc1c(C(=O)Nc2ccc3ccccc3n2)cnn1-c1cccc(Cl)c1F.
What is the InChIKey of 1-(3-chloro-2-fluorophenyl)-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide?
The InChIKey is OXQAGETYASBOBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClFN4O/c1-12-14(11-23-26(12)17-8-4-6-15(21)19(17)22)20(27)25-18-10-9-13-5-2-3-7-16(13)24-18/h2-11H,1H3,(H,24,25,27).
What are the key properties of 1-(3-chloro-2-fluorophenyl)-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide?
1-(3-chloro-2-fluorophenyl)-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide has a molecular weight of 380.81 g/mol, XLogP of 4.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-fluorophenyl)-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 137375563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).