3-methoxy-N-(1-phenylcyclobutyl)-4-(1H-pyrazol-4-yl)benzamide

C21H21N3O2 — CID 118663094

IUPAC3-methoxy-N-(1-phenylcyclobutyl)-4-(1H-pyrazol-4-yl)benzamide
SMILESCOc1cc(C(=O)NC2(c3ccccc3)CCC2)ccc1-c1cn[nH]c1
InChIInChI=1S/C21H21N3O2/c1-26-19-12-15(8-9-18(19)16-13-22-23-14-16)20(25)24-21(10-5-11-21)17-6-3-2-4-7-17/h2-4,6-9,12-14H,5,10-11H2,1H3,(H,22,23)(H,24,25)
InChIKeyQNLPOUSEBULSGB-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.89
Rot. Bonds5

About 3-methoxy-N-(1-phenylcyclobutyl)-4-(1H-pyrazol-4-yl)benzamide

3-methoxy-N-(1-phenylcyclobutyl)-4-(1H-pyrazol-4-yl)benzamide (PubChem CID 118663094) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 3-methoxy-N-(1-phenylcyclobutyl)-4-(1H-pyrazol-4-yl)benzamide.

Molecular Properties

Compound Name3-methoxy-N-(1-phenylcyclobutyl)-4-(1H-pyrazol-4-yl)benzamide
PubChem CID118663094
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name3-methoxy-N-(1-phenylcyclobutyl)-4-(1H-pyrazol-4-yl)benzamide
SMILESCOc1cc(C(=O)NC2(c3ccccc3)CCC2)ccc1-c1cn[nH]c1
InChIInChI=1S/C21H21N3O2/c1-26-19-12-15(8-9-18(19)16-13-22-23-14-16)20(25)24-21(10-5-11-21)17-6-3-2-4-7-17/h2-4,6-9,12-14H,5,10-11H2,1H3,(H,22,23)(H,24,25)
InChIKeyQNLPOUSEBULSGB-UHFFFAOYSA-N
XLogP3.89
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(1-phenylcyclobutyl)-4-(1H-pyrazol-4-yl)benzamide?
The IUPAC name of 3-methoxy-N-(1-phenylcyclobutyl)-4-(1H-pyrazol-4-yl)benzamide (CID 118663094) is 3-methoxy-N-(1-phenylcyclobutyl)-4-(1H-pyrazol-4-yl)benzamide.
What is the SMILES notation for 3-methoxy-N-(1-phenylcyclobutyl)-4-(1H-pyrazol-4-yl)benzamide?
The canonical SMILES for 3-methoxy-N-(1-phenylcyclobutyl)-4-(1H-pyrazol-4-yl)benzamide is COc1cc(C(=O)NC2(c3ccccc3)CCC2)ccc1-c1cn[nH]c1.
What is the InChIKey of 3-methoxy-N-(1-phenylcyclobutyl)-4-(1H-pyrazol-4-yl)benzamide?
The InChIKey is QNLPOUSEBULSGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-26-19-12-15(8-9-18(19)16-13-22-23-14-16)20(25)24-21(10-5-11-21)17-6-3-2-4-7-17/h2-4,6-9,12-14H,5,10-11H2,1H3,(H,22,23)(H,24,25).
What are the key properties of 3-methoxy-N-(1-phenylcyclobutyl)-4-(1H-pyrazol-4-yl)benzamide?
3-methoxy-N-(1-phenylcyclobutyl)-4-(1H-pyrazol-4-yl)benzamide has a molecular weight of 347.42 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(1-phenylcyclobutyl)-4-(1H-pyrazol-4-yl)benzamide is sourced from PubChem (CID 118663094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).