N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-6-ethoxypyridine-3-carboxamide

C18H17ClN4O2 — CID 86968541

IUPACN-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-6-ethoxypyridine-3-carboxamide
SMILESCCOc1ccc(C(=O)NCc2cnn(-c3ccc(Cl)cc3)c2)cn1
InChIInChI=1S/C18H17ClN4O2/c1-2-25-17-8-3-14(11-20-17)18(24)21-9-13-10-22-23(12-13)16-6-4-15(19)5-7-16/h3-8,10-12H,2,9H2,1H3,(H,21,24)
InChIKeyOGAUZHRKZYEKTF-UHFFFAOYSA-N
MW356.81 g/mol
LogP3.25
Rot. Bonds6

About N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-6-ethoxypyridine-3-carboxamide

N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-6-ethoxypyridine-3-carboxamide (PubChem CID 86968541) has the molecular formula C18H17ClN4O2 and a molecular weight of 356.81 g/mol. Its IUPAC name is N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-6-ethoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-6-ethoxypyridine-3-carboxamide
PubChem CID86968541
Molecular FormulaC18H17ClN4O2
Molecular Weight356.81 g/mol
Exact Mass356.10
IUPAC NameN-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-6-ethoxypyridine-3-carboxamide
SMILESCCOc1ccc(C(=O)NCc2cnn(-c3ccc(Cl)cc3)c2)cn1
InChIInChI=1S/C18H17ClN4O2/c1-2-25-17-8-3-14(11-20-17)18(24)21-9-13-10-22-23(12-13)16-6-4-15(19)5-7-16/h3-8,10-12H,2,9H2,1H3,(H,21,24)
InChIKeyOGAUZHRKZYEKTF-UHFFFAOYSA-N
XLogP3.25
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chlorophenyl)-N-[(2-ethoxy-4-pyridinyl)methyl]pyrazole-4-carboxamide
CID 55841094
4-(4-chlorophenyl)-N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-4-oxobutanamide
CID 86968466
N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-4-(propan-2-ylcarbamoylamino)benzamide
CID 86968649
6-[1-(4-chlorophenyl)pyrazol-4-yl]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 4658115
5-bromo-N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-3-methylfuran-2-carboxamide
CID 86968268
N-[(4-chlorophenyl)methyl]-6-(1-phenylpyrazol-4-yl)pyridine-3-carboxamide
CID 4188027
2,3-dichloro-N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]benzamide
CID 86968465
N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-3-methyl-1-phenylpyrazole-4-carboxamide
CID 86968538
4-[[[1-(4-chlorophenyl)pyrazol-4-yl]methylcarbamoyl-ethylamino]methyl]-N,N-dimethylbenzamide
CID 86970424
2-bromo-N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-5-methoxybenzamide
CID 86968645
4-chloro-N-[3-methyl-1-oxo-1-[(1-phenylpyrazol-4-yl)methylamino]butan-2-yl]benzamide
CID 24609791
1-acetyl-N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide
CID 166218488

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-6-ethoxypyridine-3-carboxamide?
The IUPAC name of N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-6-ethoxypyridine-3-carboxamide (CID 86968541) is N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-6-ethoxypyridine-3-carboxamide.
What is the SMILES notation for N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-6-ethoxypyridine-3-carboxamide?
The canonical SMILES for N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-6-ethoxypyridine-3-carboxamide is CCOc1ccc(C(=O)NCc2cnn(-c3ccc(Cl)cc3)c2)cn1.
What is the InChIKey of N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-6-ethoxypyridine-3-carboxamide?
The InChIKey is OGAUZHRKZYEKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O2/c1-2-25-17-8-3-14(11-20-17)18(24)21-9-13-10-22-23(12-13)16-6-4-15(19)5-7-16/h3-8,10-12H,2,9H2,1H3,(H,21,24).
What are the key properties of N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-6-ethoxypyridine-3-carboxamide?
N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-6-ethoxypyridine-3-carboxamide has a molecular weight of 356.81 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-6-ethoxypyridine-3-carboxamide is sourced from PubChem (CID 86968541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).