N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide

C19H18Cl2N4O — CID 39040319

IUPACN-[(1S)-1-(2,4-dichlorophenyl)ethyl]-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide
SMILESCCc1c(C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)cnn1-c1ccccn1
InChIInChI=1S/C19H18Cl2N4O/c1-3-17-15(11-23-25(17)18-6-4-5-9-22-18)19(26)24-12(2)14-8-7-13(20)10-16(14)21/h4-12H,3H2,1-2H3,(H,24,26)/t12-/m0/s1
InChIKeyUNURFVMHCYYNCV-LBPRGKRZSA-N
MW389.29 g/mol
LogP4.63
Rot. Bonds5

About N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide

N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide (PubChem CID 39040319) has the molecular formula C19H18Cl2N4O and a molecular weight of 389.29 g/mol. Its IUPAC name is N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(2,4-dichlorophenyl)ethyl]-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide
PubChem CID39040319
Molecular FormulaC19H18Cl2N4O
Molecular Weight389.29 g/mol
Exact Mass388.09
IUPAC NameN-[(1S)-1-(2,4-dichlorophenyl)ethyl]-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide
SMILESCCc1c(C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)cnn1-c1ccccn1
InChIInChI=1S/C19H18Cl2N4O/c1-3-17-15(11-23-25(17)18-6-4-5-9-22-18)19(26)24-12(2)14-8-7-13(20)10-16(14)21/h4-12H,3H2,1-2H3,(H,24,26)/t12-/m0/s1
InChIKeyUNURFVMHCYYNCV-LBPRGKRZSA-N
XLogP4.63
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.29
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-1-pyridin-2-ylpyrazole-4-carboxamide
CID 95286190
5-ethyl-N-(3-hydroxyphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide
CID 91885720
[4-(3-chlorophenyl)piperazin-1-yl]-(5-ethyl-1-pyridin-2-ylpyrazol-4-yl)methanone
CID 55650522
5-ethyl-N-(2-methylphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide
CID 15944173
5-ethyl-N-(3-methylphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide
CID 15944175
5-ethyl-N-[3-(methylamino)propyl]-1-pyridin-2-ylpyrazole-4-carboxamide
CID 119433437
propan-2-yl 4-[(5-ethyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]benzoate
CID 91885717
N-butan-2-yl-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 108793345
N-[1-(2,4-dichlorophenyl)ethyl]-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 46530909
N-butan-2-yl-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide
CID 46671572
5-ethyl-N-(5-fluoro-2-methylphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide
CID 91885724
N-[1-(2,4-dichlorophenyl)ethyl]-3-(methylamino)pyridine-4-carboxamide
CID 105068061

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide (CID 39040319) is N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide is CCc1c(C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)cnn1-c1ccccn1.
What is the InChIKey of N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide?
The InChIKey is UNURFVMHCYYNCV-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H18Cl2N4O/c1-3-17-15(11-23-25(17)18-6-4-5-9-22-18)19(26)24-12(2)14-8-7-13(20)10-16(14)21/h4-12H,3H2,1-2H3,(H,24,26)/t12-/m0/s1.
What are the key properties of N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide?
N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide has a molecular weight of 389.29 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-5-ethyl-1-pyridin-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 39040319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).