N-[5-(furan-2-yl)-3-phenyl-1H-pyrazol-4-yl]-3-methoxybenzamide

C21H17N3O3 — CID 42687656

IUPACN-[5-(furan-2-yl)-3-phenyl-1H-pyrazol-4-yl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2c(-c3ccccc3)n[nH]c2-c2ccco2)c1
InChIInChI=1S/C21H17N3O3/c1-26-16-10-5-9-15(13-16)21(25)22-20-18(14-7-3-2-4-8-14)23-24-19(20)17-11-6-12-27-17/h2-13H,1H3,(H,22,25)(H,23,24)
InChIKeyHBFWBECSQFQHFK-UHFFFAOYSA-N
MW359.39 g/mol
LogP4.60
Rot. Bonds5

About N-[5-(furan-2-yl)-3-phenyl-1H-pyrazol-4-yl]-3-methoxybenzamide

N-[5-(furan-2-yl)-3-phenyl-1H-pyrazol-4-yl]-3-methoxybenzamide (PubChem CID 42687656) has the molecular formula C21H17N3O3 and a molecular weight of 359.39 g/mol. Its IUPAC name is N-[5-(furan-2-yl)-3-phenyl-1H-pyrazol-4-yl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[5-(furan-2-yl)-3-phenyl-1H-pyrazol-4-yl]-3-methoxybenzamide
PubChem CID42687656
Molecular FormulaC21H17N3O3
Molecular Weight359.39 g/mol
Exact Mass359.13
IUPAC NameN-[5-(furan-2-yl)-3-phenyl-1H-pyrazol-4-yl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2c(-c3ccccc3)n[nH]c2-c2ccco2)c1
InChIInChI=1S/C21H17N3O3/c1-26-16-10-5-9-15(13-16)21(25)22-20-18(14-7-3-2-4-8-14)23-24-19(20)17-11-6-12-27-17/h2-13H,1H3,(H,22,25)(H,23,24)
InChIKeyHBFWBECSQFQHFK-UHFFFAOYSA-N
XLogP4.60
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(furan-2-yl)-3-phenyl-1H-pyrazol-4-yl]-2-(4-methoxyphenyl)acetamide
CID 42687652
2,6-difluoro-N-[5-(furan-2-yl)-3-phenyl-1H-pyrazol-4-yl]benzamide
CID 42687666
3-methoxy-N-[5-(oxan-4-yl)-3-phenyl-1H-pyrazol-4-yl]benzamide
CID 42687643
3-(2-chlorophenyl)-4-[(3-methoxybenzoyl)amino]-1H-pyrazole-5-carboxylic acid
CID 142699253
3-chloro-N-[3-(3-methoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]benzamide
CID 42686982
3-methoxy-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzamide
CID 17359640
N-[3-(3,4-dimethoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]-3-methoxybenzamide
CID 42685722
3-methoxy-N-(3-phenylphenyl)benzamide
CID 798645
N-[4-[(3-methoxybenzoyl)amino]phenyl]furan-2-carboxamide
CID 780805
N-(5-methyl-3-phenyl-1H-pyrazol-4-yl)benzamide
CID 14183157
N-[3-(3-methoxyphenyl)-5-propyl-1H-pyrazol-4-yl]-2-phenylacetamide
CID 42686943
N-[5-ethyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]-2-fluorobenzamide
CID 42686892

Frequently Asked Questions

What is the IUPAC name of N-[5-(furan-2-yl)-3-phenyl-1H-pyrazol-4-yl]-3-methoxybenzamide?
The IUPAC name of N-[5-(furan-2-yl)-3-phenyl-1H-pyrazol-4-yl]-3-methoxybenzamide (CID 42687656) is N-[5-(furan-2-yl)-3-phenyl-1H-pyrazol-4-yl]-3-methoxybenzamide.
What is the SMILES notation for N-[5-(furan-2-yl)-3-phenyl-1H-pyrazol-4-yl]-3-methoxybenzamide?
The canonical SMILES for N-[5-(furan-2-yl)-3-phenyl-1H-pyrazol-4-yl]-3-methoxybenzamide is COc1cccc(C(=O)Nc2c(-c3ccccc3)n[nH]c2-c2ccco2)c1.
What is the InChIKey of N-[5-(furan-2-yl)-3-phenyl-1H-pyrazol-4-yl]-3-methoxybenzamide?
The InChIKey is HBFWBECSQFQHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3/c1-26-16-10-5-9-15(13-16)21(25)22-20-18(14-7-3-2-4-8-14)23-24-19(20)17-11-6-12-27-17/h2-13H,1H3,(H,22,25)(H,23,24).
What are the key properties of N-[5-(furan-2-yl)-3-phenyl-1H-pyrazol-4-yl]-3-methoxybenzamide?
N-[5-(furan-2-yl)-3-phenyl-1H-pyrazol-4-yl]-3-methoxybenzamide has a molecular weight of 359.39 g/mol, XLogP of 4.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(furan-2-yl)-3-phenyl-1H-pyrazol-4-yl]-3-methoxybenzamide is sourced from PubChem (CID 42687656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).