N-[4-(4-chloropyrazol-1-yl)phenyl]-3-methoxybenzamide

C17H14ClN3O2 — CID 35761483

IUPACN-[4-(4-chloropyrazol-1-yl)phenyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc(-n3cc(Cl)cn3)cc2)c1
InChIInChI=1S/C17H14ClN3O2/c1-23-16-4-2-3-12(9-16)17(22)20-14-5-7-15(8-6-14)21-11-13(18)10-19-21/h2-11H,1H3,(H,20,22)
InChIKeyRONHECVARIMZSE-UHFFFAOYSA-N
MW327.77 g/mol
LogP3.79
Rot. Bonds4

About N-[4-(4-chloropyrazol-1-yl)phenyl]-3-methoxybenzamide

N-[4-(4-chloropyrazol-1-yl)phenyl]-3-methoxybenzamide (PubChem CID 35761483) has the molecular formula C17H14ClN3O2 and a molecular weight of 327.77 g/mol. Its IUPAC name is N-[4-(4-chloropyrazol-1-yl)phenyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[4-(4-chloropyrazol-1-yl)phenyl]-3-methoxybenzamide
PubChem CID35761483
Molecular FormulaC17H14ClN3O2
Molecular Weight327.77 g/mol
Exact Mass327.08
IUPAC NameN-[4-(4-chloropyrazol-1-yl)phenyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc(-n3cc(Cl)cn3)cc2)c1
InChIInChI=1S/C17H14ClN3O2/c1-23-16-4-2-3-12(9-16)17(22)20-14-5-7-15(8-6-14)21-11-13(18)10-19-21/h2-11H,1H3,(H,20,22)
InChIKeyRONHECVARIMZSE-UHFFFAOYSA-N
XLogP3.79
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.77
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-N-(4-pyrazol-1-ylphenyl)benzamide
CID 31923113
2,6-dichloro-N-[4-[4-(4-methoxyphenyl)pyrazol-1-yl]phenyl]pyridine-4-carboxamide
CID 4091148
3-[(4-chlorophenyl)sulfonylamino]-N-[1-(3-methoxyphenyl)pyrazol-4-yl]benzamide
CID 155555935
N-[2-(3-chlorophenyl)benzotriazol-5-yl]-3-methoxybenzamide
CID 3117312
N-(4-aminophenyl)-3-methoxybenzamide
CID 8566724
N-[4-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]sulfanylphenyl]-3-methoxybenzamide
CID 22778750
3-methoxy-N-(4-morpholin-4-ylphenyl)benzamide
CID 795014
4-(4-bromopyrazol-1-yl)-N-(4-methoxyphenyl)benzamide
CID 38761721
1-[4-(4-chloropyrazol-1-yl)phenyl]-3-phenylurea
CID 35521242
N-[4-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanylphenyl]-3-methoxybenzamide
CID 23095520
3-[4-[(4-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(3,4,5-trimethoxyphenyl)benzamide
CID 70702009
N-(5-bromo-6-chloro-3-pyridinyl)-3-methoxybenzamide
CID 103816421

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chloropyrazol-1-yl)phenyl]-3-methoxybenzamide?
The IUPAC name of N-[4-(4-chloropyrazol-1-yl)phenyl]-3-methoxybenzamide (CID 35761483) is N-[4-(4-chloropyrazol-1-yl)phenyl]-3-methoxybenzamide.
What is the SMILES notation for N-[4-(4-chloropyrazol-1-yl)phenyl]-3-methoxybenzamide?
The canonical SMILES for N-[4-(4-chloropyrazol-1-yl)phenyl]-3-methoxybenzamide is COc1cccc(C(=O)Nc2ccc(-n3cc(Cl)cn3)cc2)c1.
What is the InChIKey of N-[4-(4-chloropyrazol-1-yl)phenyl]-3-methoxybenzamide?
The InChIKey is RONHECVARIMZSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O2/c1-23-16-4-2-3-12(9-16)17(22)20-14-5-7-15(8-6-14)21-11-13(18)10-19-21/h2-11H,1H3,(H,20,22).
What are the key properties of N-[4-(4-chloropyrazol-1-yl)phenyl]-3-methoxybenzamide?
N-[4-(4-chloropyrazol-1-yl)phenyl]-3-methoxybenzamide has a molecular weight of 327.77 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chloropyrazol-1-yl)phenyl]-3-methoxybenzamide is sourced from PubChem (CID 35761483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).