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

C11H11N3O2 — CID 43429414

IUPAC4-methoxy-N-(1H-pyrazol-4-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2cn[nH]c2)cc1
InChIInChI=1S/C11H11N3O2/c1-16-10-4-2-8(3-5-10)11(15)14-9-6-12-13-7-9/h2-7H,1H3,(H,12,13)(H,14,15)
InChIKeyIMCQYFNTJNXCGV-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.67
Rot. Bonds3

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

4-methoxy-N-(1H-pyrazol-4-yl)benzamide (PubChem CID 43429414) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 4-methoxy-N-(1H-pyrazol-4-yl)benzamide.

Molecular Properties

Compound Name4-methoxy-N-(1H-pyrazol-4-yl)benzamide
PubChem CID43429414
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name4-methoxy-N-(1H-pyrazol-4-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2cn[nH]c2)cc1
InChIInChI=1S/C11H11N3O2/c1-16-10-4-2-8(3-5-10)11(15)14-9-6-12-13-7-9/h2-7H,1H3,(H,12,13)(H,14,15)
InChIKeyIMCQYFNTJNXCGV-UHFFFAOYSA-N
XLogP1.67
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-N-(1H-pyrazol-4-yl)benzamide
CID 43540288
N-(4-methoxyphenyl)-4-(1H-pyrazol-4-ylmethylcarbamoylamino)benzamide
CID 135223318
3,4-dimethyl-N-(1H-pyrazol-4-yl)benzamide
CID 43429529
1-(6-methoxynaphthalen-2-yl)-3-(1H-pyrazol-4-yl)urea
CID 166194501
3-hydroxy-4-methyl-N-(1H-pyrazol-4-yl)benzamide
CID 43540289
6-bromo-N-(1H-pyrazol-4-yl)pyridine-3-carboxamide
CID 66462687
methyl 4-[(4-methoxyphenyl)carbamoyl]benzoate
CID 7733773
3-methoxy-4-nitro-N-(1H-pyrazol-4-yl)benzamide
CID 115602226
5-N-(1H-pyrazol-4-yl)pyridine-2,5-dicarboxamide
CID 86858757
N-(4-bromophenyl)-4-[(4-methoxybenzoyl)amino]benzamide
CID 2214535
4-hydrazinyl-N-(4-methoxyphenyl)benzamide
CID 62237684
N-(1H-pyrazol-4-yl)pyridine-3-carboxamide
CID 20784957

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(1H-pyrazol-4-yl)benzamide?
The IUPAC name of 4-methoxy-N-(1H-pyrazol-4-yl)benzamide (CID 43429414) is 4-methoxy-N-(1H-pyrazol-4-yl)benzamide.
What is the SMILES notation for 4-methoxy-N-(1H-pyrazol-4-yl)benzamide?
The canonical SMILES for 4-methoxy-N-(1H-pyrazol-4-yl)benzamide is COc1ccc(C(=O)Nc2cn[nH]c2)cc1.
What is the InChIKey of 4-methoxy-N-(1H-pyrazol-4-yl)benzamide?
The InChIKey is IMCQYFNTJNXCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-16-10-4-2-8(3-5-10)11(15)14-9-6-12-13-7-9/h2-7H,1H3,(H,12,13)(H,14,15).
What are the key properties of 4-methoxy-N-(1H-pyrazol-4-yl)benzamide?
4-methoxy-N-(1H-pyrazol-4-yl)benzamide has a molecular weight of 217.23 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(1H-pyrazol-4-yl)benzamide is sourced from PubChem (CID 43429414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).