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

C21H17N3O2 — CID 122425162

IUPACN-[2-[5-(furan-2-yl)-1H-pyrazol-3-yl]phenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccccc2-c2cc(-c3ccco3)[nH]n2)cc1
InChIInChI=1S/C21H17N3O2/c1-14-8-10-15(11-9-14)21(25)22-17-6-3-2-5-16(17)18-13-19(24-23-18)20-7-4-12-26-20/h2-13H,1H3,(H,22,25)(H,23,24)
InChIKeyIRIYCOTVRUMWLB-UHFFFAOYSA-N
MW343.39 g/mol
LogP4.90
Rot. Bonds4

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

N-[2-[5-(furan-2-yl)-1H-pyrazol-3-yl]phenyl]-4-methylbenzamide (PubChem CID 122425162) has the molecular formula C21H17N3O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is N-[2-[5-(furan-2-yl)-1H-pyrazol-3-yl]phenyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-[5-(furan-2-yl)-1H-pyrazol-3-yl]phenyl]-4-methylbenzamide
PubChem CID122425162
Molecular FormulaC21H17N3O2
Molecular Weight343.39 g/mol
Exact Mass343.13
IUPAC NameN-[2-[5-(furan-2-yl)-1H-pyrazol-3-yl]phenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccccc2-c2cc(-c3ccco3)[nH]n2)cc1
InChIInChI=1S/C21H17N3O2/c1-14-8-10-15(11-9-14)21(25)22-17-6-3-2-5-16(17)18-13-19(24-23-18)20-7-4-12-26-20/h2-13H,1H3,(H,22,25)(H,23,24)
InChIKeyIRIYCOTVRUMWLB-UHFFFAOYSA-N
XLogP4.90
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(furan-2-yl)-1H-pyrazol-3-yl]phenyl]-4-methylbenzamide?
The IUPAC name of N-[2-[5-(furan-2-yl)-1H-pyrazol-3-yl]phenyl]-4-methylbenzamide (CID 122425162) is N-[2-[5-(furan-2-yl)-1H-pyrazol-3-yl]phenyl]-4-methylbenzamide.
What is the SMILES notation for N-[2-[5-(furan-2-yl)-1H-pyrazol-3-yl]phenyl]-4-methylbenzamide?
The canonical SMILES for N-[2-[5-(furan-2-yl)-1H-pyrazol-3-yl]phenyl]-4-methylbenzamide is Cc1ccc(C(=O)Nc2ccccc2-c2cc(-c3ccco3)[nH]n2)cc1.
What is the InChIKey of N-[2-[5-(furan-2-yl)-1H-pyrazol-3-yl]phenyl]-4-methylbenzamide?
The InChIKey is IRIYCOTVRUMWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2/c1-14-8-10-15(11-9-14)21(25)22-17-6-3-2-5-16(17)18-13-19(24-23-18)20-7-4-12-26-20/h2-13H,1H3,(H,22,25)(H,23,24).
What are the key properties of N-[2-[5-(furan-2-yl)-1H-pyrazol-3-yl]phenyl]-4-methylbenzamide?
N-[2-[5-(furan-2-yl)-1H-pyrazol-3-yl]phenyl]-4-methylbenzamide has a molecular weight of 343.39 g/mol, XLogP of 4.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(furan-2-yl)-1H-pyrazol-3-yl]phenyl]-4-methylbenzamide is sourced from PubChem (CID 122425162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).