1-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]pyrazole-4-carboxamide

C18H16ClN3O2 — CID 47046691

IUPAC1-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]pyrazole-4-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cnn(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C18H16ClN3O2/c1-24-17-5-3-2-4-13(17)10-20-18(23)14-11-21-22(12-14)16-8-6-15(19)7-9-16/h2-9,11-12H,10H2,1H3,(H,20,23)
InChIKeyVNEYUZKCBLLXDD-UHFFFAOYSA-N
MW341.80 g/mol
LogP3.46
Rot. Bonds5

About 1-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]pyrazole-4-carboxamide

1-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]pyrazole-4-carboxamide (PubChem CID 47046691) has the molecular formula C18H16ClN3O2 and a molecular weight of 341.80 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]pyrazole-4-carboxamide
PubChem CID47046691
Molecular FormulaC18H16ClN3O2
Molecular Weight341.80 g/mol
Exact Mass341.09
IUPAC Name1-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]pyrazole-4-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cnn(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C18H16ClN3O2/c1-24-17-5-3-2-4-13(17)10-20-18(23)14-11-21-22(12-14)16-8-6-15(19)7-9-16/h2-9,11-12H,10H2,1H3,(H,20,23)
InChIKeyVNEYUZKCBLLXDD-UHFFFAOYSA-N
XLogP3.46
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(4-chlorophenyl)pyrazol-1-yl]-N-[(2-methoxyphenyl)methyl]benzamide
CID 3610947
N-[2-(2-methoxyphenyl)ethyl]-1-phenylpyrazole-4-carboxamide
CID 27757113
1-[(2-chlorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]pyrazole-4-carboxamide
CID 51272109
1-(4-chlorophenyl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pyrazole-4-carboxamide
CID 56518265
3-[1-(4-chlorophenyl)triazol-4-yl]-N-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 53170395
2-(4-chloroanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide
CID 109257832
1-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 50904512
2-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]tetrazole-5-carboxamide
CID 71791497
4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(2-methoxyphenyl)methyl]benzamide
CID 9404788
N-[(2-methoxyphenyl)methyl]-1-methylpyrrole-3-carboxamide
CID 110762648
6-[(4-chlorophenyl)methylamino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109156901
N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide
CID 110466860

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]pyrazole-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]pyrazole-4-carboxamide (CID 47046691) is 1-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]pyrazole-4-carboxamide is COc1ccccc1CNC(=O)c1cnn(-c2ccc(Cl)cc2)c1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]pyrazole-4-carboxamide?
The InChIKey is VNEYUZKCBLLXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2/c1-24-17-5-3-2-4-13(17)10-20-18(23)14-11-21-22(12-14)16-8-6-15(19)7-9-16/h2-9,11-12H,10H2,1H3,(H,20,23).
What are the key properties of 1-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]pyrazole-4-carboxamide?
1-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]pyrazole-4-carboxamide has a molecular weight of 341.80 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 47046691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).