N-[(3,4-dichlorophenyl)methyl]-4-hydroxy-N-methyl-1-phenylpyrazole-3-carboxamide

C18H15Cl2N3O2 — CID 112798219

IUPACN-[(3,4-dichlorophenyl)methyl]-4-hydroxy-N-methyl-1-phenylpyrazole-3-carboxamide
SMILESCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1nn(-c2ccccc2)cc1O
InChIInChI=1S/C18H15Cl2N3O2/c1-22(10-12-7-8-14(19)15(20)9-12)18(25)17-16(24)11-23(21-17)13-5-3-2-4-6-13/h2-9,11,24H,10H2,1H3
InChIKeyMNOBPAQHBIVYLL-UHFFFAOYSA-N
MW376.24 g/mol
LogP4.16
Rot. Bonds4

About N-[(3,4-dichlorophenyl)methyl]-4-hydroxy-N-methyl-1-phenylpyrazole-3-carboxamide

N-[(3,4-dichlorophenyl)methyl]-4-hydroxy-N-methyl-1-phenylpyrazole-3-carboxamide (PubChem CID 112798219) has the molecular formula C18H15Cl2N3O2 and a molecular weight of 376.24 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-4-hydroxy-N-methyl-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-4-hydroxy-N-methyl-1-phenylpyrazole-3-carboxamide
PubChem CID112798219
Molecular FormulaC18H15Cl2N3O2
Molecular Weight376.24 g/mol
Exact Mass375.05
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-4-hydroxy-N-methyl-1-phenylpyrazole-3-carboxamide
SMILESCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1nn(-c2ccccc2)cc1O
InChIInChI=1S/C18H15Cl2N3O2/c1-22(10-12-7-8-14(19)15(20)9-12)18(25)17-16(24)11-23(21-17)13-5-3-2-4-6-13/h2-9,11,24H,10H2,1H3
InChIKeyMNOBPAQHBIVYLL-UHFFFAOYSA-N
XLogP4.16
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.24
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N,1-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrazole-3-carboxamide
CID 19277952
1-benzyl-N-[(3,4-dichlorophenyl)methyl]-N-methyltriazole-4-carboxamide
CID 18152841
N-[(3,4-dichlorophenyl)methyl]-N,2-dimethylbenzamide
CID 112792499
N-[(3,4-dichlorophenyl)methyl]-4,5-dihydroxy-N,1-dimethylpyrrole-3-carboxamide
CID 91262646
N-benzyl-N,6-dimethyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 27666115
2,3,5-trichloro-6-hydroxy-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 112813676
1-(2-amino-2-oxoethyl)-N-[(3,4-dichlorophenyl)methyl]-4,5-dihydroxy-N-methylpyrrole-3-carboxamide
CID 90948770
5-chloro-N-[(3,4-dichlorophenyl)methyl]-N-methylfuran-2-carboxamide
CID 103601901
N-benzyl-2-[[2-[(3,4-dichlorophenyl)methylsulfanyl]acetyl]amino]-N-methylbenzamide
CID 17312378
N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-methylsulfonylbenzamide
CID 18081456
2-hydroxy-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 24551539
N-[(4-fluoro-3-methylphenyl)methyl]-4-hydroxy-1-phenylpyrazole-3-carboxamide
CID 112806377

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-4-hydroxy-N-methyl-1-phenylpyrazole-3-carboxamide?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-4-hydroxy-N-methyl-1-phenylpyrazole-3-carboxamide (CID 112798219) is N-[(3,4-dichlorophenyl)methyl]-4-hydroxy-N-methyl-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-4-hydroxy-N-methyl-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-4-hydroxy-N-methyl-1-phenylpyrazole-3-carboxamide is CN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1nn(-c2ccccc2)cc1O.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-4-hydroxy-N-methyl-1-phenylpyrazole-3-carboxamide?
The InChIKey is MNOBPAQHBIVYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N3O2/c1-22(10-12-7-8-14(19)15(20)9-12)18(25)17-16(24)11-23(21-17)13-5-3-2-4-6-13/h2-9,11,24H,10H2,1H3.
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-4-hydroxy-N-methyl-1-phenylpyrazole-3-carboxamide?
N-[(3,4-dichlorophenyl)methyl]-4-hydroxy-N-methyl-1-phenylpyrazole-3-carboxamide has a molecular weight of 376.24 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-4-hydroxy-N-methyl-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 112798219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).