1-[(2-chlorophenyl)methyl]-N-[3-(hydroxymethyl)phenyl]pyrazole-4-carboxamide

C18H16ClN3O2 — CID 110882308

IUPAC1-[(2-chlorophenyl)methyl]-N-[3-(hydroxymethyl)phenyl]pyrazole-4-carboxamide
SMILESO=C(Nc1cccc(CO)c1)c1cnn(Cc2ccccc2Cl)c1
InChIInChI=1S/C18H16ClN3O2/c19-17-7-2-1-5-14(17)10-22-11-15(9-20-22)18(24)21-16-6-3-4-13(8-16)12-23/h1-9,11,23H,10,12H2,(H,21,24)
InChIKeyRKBOSSSIUODOSO-UHFFFAOYSA-N
MW341.80 g/mol
LogP3.33
Rot. Bonds5

About 1-[(2-chlorophenyl)methyl]-N-[3-(hydroxymethyl)phenyl]pyrazole-4-carboxamide

1-[(2-chlorophenyl)methyl]-N-[3-(hydroxymethyl)phenyl]pyrazole-4-carboxamide (PubChem CID 110882308) has the molecular formula C18H16ClN3O2 and a molecular weight of 341.80 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-N-[3-(hydroxymethyl)phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-N-[3-(hydroxymethyl)phenyl]pyrazole-4-carboxamide
PubChem CID110882308
Molecular FormulaC18H16ClN3O2
Molecular Weight341.80 g/mol
Exact Mass341.09
IUPAC Name1-[(2-chlorophenyl)methyl]-N-[3-(hydroxymethyl)phenyl]pyrazole-4-carboxamide
SMILESO=C(Nc1cccc(CO)c1)c1cnn(Cc2ccccc2Cl)c1
InChIInChI=1S/C18H16ClN3O2/c19-17-7-2-1-5-14(17)10-22-11-15(9-20-22)18(24)21-16-6-3-4-13(8-16)12-23/h1-9,11,23H,10,12H2,(H,21,24)
InChIKeyRKBOSSSIUODOSO-UHFFFAOYSA-N
XLogP3.33
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-chlorophenyl)methyl]-N-[3-(methylcarbamoyl)phenyl]pyrazole-4-carboxamide
CID 17476630
1-[(2-chlorophenyl)methyl]-N-(3-cyclopentylsulfonylphenyl)pyrazole-4-carboxamide
CID 55612679
1-[(2-chlorophenyl)methyl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]pyrazole-4-carboxamide
CID 39724810
1-[(2-chlorophenyl)methyl]-N-[4-(cyanomethyl)phenyl]pyrazole-4-carboxamide
CID 39724720
1-[(2-chlorophenyl)methyl]-N-[4-(2,2-dimethylpropanoylamino)phenyl]pyrazole-4-carboxamide
CID 24641718
1-[(2-chlorophenyl)methyl]-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pyrazole-4-carboxamide
CID 39141043
1-benzyl-N-(3-ethynylphenyl)pyrazole-4-carboxamide
CID 46540728
1-[(2-chlorophenyl)methyl]-N-(2,3-dihydro-1-benzofuran-5-yl)pyrazole-4-carboxamide
CID 38588800
N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-1-[(2-chlorophenyl)methyl]pyrazole-4-carboxamide
CID 55906262
1-benzyl-N-(3-cyanophenyl)pyrazole-4-carboxamide
CID 26245593
1-[(2-chlorophenyl)methyl]-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]pyrazole-4-carboxamide
CID 39723136
1-[(2-chlorophenyl)methyl]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 34450094

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-N-[3-(hydroxymethyl)phenyl]pyrazole-4-carboxamide?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-N-[3-(hydroxymethyl)phenyl]pyrazole-4-carboxamide (CID 110882308) is 1-[(2-chlorophenyl)methyl]-N-[3-(hydroxymethyl)phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-N-[3-(hydroxymethyl)phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-N-[3-(hydroxymethyl)phenyl]pyrazole-4-carboxamide is O=C(Nc1cccc(CO)c1)c1cnn(Cc2ccccc2Cl)c1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-N-[3-(hydroxymethyl)phenyl]pyrazole-4-carboxamide?
The InChIKey is RKBOSSSIUODOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2/c19-17-7-2-1-5-14(17)10-22-11-15(9-20-22)18(24)21-16-6-3-4-13(8-16)12-23/h1-9,11,23H,10,12H2,(H,21,24).
What are the key properties of 1-[(2-chlorophenyl)methyl]-N-[3-(hydroxymethyl)phenyl]pyrazole-4-carboxamide?
1-[(2-chlorophenyl)methyl]-N-[3-(hydroxymethyl)phenyl]pyrazole-4-carboxamide has a molecular weight of 341.80 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-N-[3-(hydroxymethyl)phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 110882308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).