2,5-dimethoxy-N-(1H-pyrazol-5-yl)benzamide

C12H13N3O3 — CID 61393926

IUPAC2,5-dimethoxy-N-(1H-pyrazol-5-yl)benzamide
SMILESCOc1ccc(OC)c(C(=O)Nc2ccn[nH]2)c1
InChIInChI=1S/C12H13N3O3/c1-17-8-3-4-10(18-2)9(7-8)12(16)14-11-5-6-13-15-11/h3-7H,1-2H3,(H2,13,14,15,16)
InChIKeyDDMFOBLDOGJHCV-UHFFFAOYSA-N
MW247.25 g/mol
LogP1.68
Rot. Bonds4

About 2,5-dimethoxy-N-(1H-pyrazol-5-yl)benzamide

2,5-dimethoxy-N-(1H-pyrazol-5-yl)benzamide (PubChem CID 61393926) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is 2,5-dimethoxy-N-(1H-pyrazol-5-yl)benzamide.

Molecular Properties

Compound Name2,5-dimethoxy-N-(1H-pyrazol-5-yl)benzamide
PubChem CID61393926
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Name2,5-dimethoxy-N-(1H-pyrazol-5-yl)benzamide
SMILESCOc1ccc(OC)c(C(=O)Nc2ccn[nH]2)c1
InChIInChI=1S/C12H13N3O3/c1-17-8-3-4-10(18-2)9(7-8)12(16)14-11-5-6-13-15-11/h3-7H,1-2H3,(H2,13,14,15,16)
InChIKeyDDMFOBLDOGJHCV-UHFFFAOYSA-N
XLogP1.68
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-iodo-2-methoxy-N-(1H-pyrazol-5-yl)benzamide
CID 61394014
2,5-dimethoxy-N-(4-methoxyphenyl)benzamide
CID 8574615
2,5-dimethoxy-N-(2-methyl-4-pyridinyl)benzamide
CID 110761099
N-(6-chloropyridazin-3-yl)-2,5-dimethoxybenzamide
CID 115608605
(4-methoxyphenyl) N-(1H-pyrazol-5-yl)carbamate
CID 142785609
4-(2,4-dimethoxyphenyl)-4-hydroxy-N-(1H-pyrazol-5-yl)butanamide
CID 84555446
N-(4-hydroxyphenyl)-2,5-dimethoxybenzamide
CID 48824493
N-(2-hydroxy-4-methylphenyl)-2,5-dimethoxybenzamide
CID 18108995
N-(4-chloro-2-iodophenyl)-2,5-dimethoxybenzamide
CID 103766869
3-(4-methoxyphenoxy)-N-(1H-pyrazol-5-yl)propanamide
CID 61393499
4-(2-amino-2-oxoethoxy)-3-methoxy-N-(1H-pyrazol-5-yl)benzamide
CID 47083217
2,5-dimethoxy-N-(4-propan-2-yloxyphenyl)benzamide
CID 110761096

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-N-(1H-pyrazol-5-yl)benzamide?
The IUPAC name of 2,5-dimethoxy-N-(1H-pyrazol-5-yl)benzamide (CID 61393926) is 2,5-dimethoxy-N-(1H-pyrazol-5-yl)benzamide.
What is the SMILES notation for 2,5-dimethoxy-N-(1H-pyrazol-5-yl)benzamide?
The canonical SMILES for 2,5-dimethoxy-N-(1H-pyrazol-5-yl)benzamide is COc1ccc(OC)c(C(=O)Nc2ccn[nH]2)c1.
What is the InChIKey of 2,5-dimethoxy-N-(1H-pyrazol-5-yl)benzamide?
The InChIKey is DDMFOBLDOGJHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c1-17-8-3-4-10(18-2)9(7-8)12(16)14-11-5-6-13-15-11/h3-7H,1-2H3,(H2,13,14,15,16).
What are the key properties of 2,5-dimethoxy-N-(1H-pyrazol-5-yl)benzamide?
2,5-dimethoxy-N-(1H-pyrazol-5-yl)benzamide has a molecular weight of 247.25 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-N-(1H-pyrazol-5-yl)benzamide is sourced from PubChem (CID 61393926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).