N-(3-chloro-4-methoxyphenyl)-4-hydroxy-1-phenylpyrazole-3-carboxamide

C17H14ClN3O3 — CID 112803447

IUPACN-(3-chloro-4-methoxyphenyl)-4-hydroxy-1-phenylpyrazole-3-carboxamide
SMILESCOc1ccc(NC(=O)c2nn(-c3ccccc3)cc2O)cc1Cl
InChIInChI=1S/C17H14ClN3O3/c1-24-15-8-7-11(9-13(15)18)19-17(23)16-14(22)10-21(20-16)12-5-3-2-4-6-12/h2-10,22H,1H3,(H,19,23)
InChIKeyNXHDXDVHUUPKCZ-UHFFFAOYSA-N
MW343.77 g/mol
LogP3.49
Rot. Bonds4

About N-(3-chloro-4-methoxyphenyl)-4-hydroxy-1-phenylpyrazole-3-carboxamide

N-(3-chloro-4-methoxyphenyl)-4-hydroxy-1-phenylpyrazole-3-carboxamide (PubChem CID 112803447) has the molecular formula C17H14ClN3O3 and a molecular weight of 343.77 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-4-hydroxy-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-4-hydroxy-1-phenylpyrazole-3-carboxamide
PubChem CID112803447
Molecular FormulaC17H14ClN3O3
Molecular Weight343.77 g/mol
Exact Mass343.07
IUPAC NameN-(3-chloro-4-methoxyphenyl)-4-hydroxy-1-phenylpyrazole-3-carboxamide
SMILESCOc1ccc(NC(=O)c2nn(-c3ccccc3)cc2O)cc1Cl
InChIInChI=1S/C17H14ClN3O3/c1-24-15-8-7-11(9-13(15)18)19-17(23)16-14(22)10-21(20-16)12-5-3-2-4-6-12/h2-10,22H,1H3,(H,19,23)
InChIKeyNXHDXDVHUUPKCZ-UHFFFAOYSA-N
XLogP3.49
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.77
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethylphenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide
CID 7992464
1-(3-chloro-4-methylphenyl)-3-[(4-hydroxy-1-phenylpyrazole-3-carbonyl)amino]thiourea
CID 8812973
4-methoxy-1-phenyl-N-pyridin-4-ylpyrazole-3-carboxamide
CID 17440224
N-(3-chloro-4-methoxyphenyl)-1,3-diphenylpyrazole-5-carboxamide
CID 7934858
N-(3-chloro-4-methoxyphenyl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 2712877
N-(3-chloro-4-methoxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 108791811
4-hydroxy-1-phenyl-N-[3-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide
CID 112812529
4-hydroxy-N-[2-(2-methoxy-5-methylphenyl)ethyl]-1-phenylpyrazole-3-carboxamide
CID 112798288
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-hydroxy-1-phenylpyrazole-3-carboxamide
CID 112798327
4-hydroxy-N-(4-methoxy-1,3-benzothiazol-2-yl)-1-phenylpyrazole-3-carboxamide
CID 112804982
N-(3,4-dichlorophenyl)-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide
CID 108785180
N-(3-chloro-4-methoxyphenyl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 2713554

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-4-hydroxy-1-phenylpyrazole-3-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-4-hydroxy-1-phenylpyrazole-3-carboxamide (CID 112803447) is N-(3-chloro-4-methoxyphenyl)-4-hydroxy-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-4-hydroxy-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-4-hydroxy-1-phenylpyrazole-3-carboxamide is COc1ccc(NC(=O)c2nn(-c3ccccc3)cc2O)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-4-hydroxy-1-phenylpyrazole-3-carboxamide?
The InChIKey is NXHDXDVHUUPKCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O3/c1-24-15-8-7-11(9-13(15)18)19-17(23)16-14(22)10-21(20-16)12-5-3-2-4-6-12/h2-10,22H,1H3,(H,19,23).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-4-hydroxy-1-phenylpyrazole-3-carboxamide?
N-(3-chloro-4-methoxyphenyl)-4-hydroxy-1-phenylpyrazole-3-carboxamide has a molecular weight of 343.77 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-4-hydroxy-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 112803447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).