2,5-dimethoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide

C14H17N3O3 — CID 60736054

IUPAC2,5-dimethoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
SMILESCOc1ccc(OC)c(C(=O)NCc2cn[nH]c2C)c1
InChIInChI=1S/C14H17N3O3/c1-9-10(8-16-17-9)7-15-14(18)12-6-11(19-2)4-5-13(12)20-3/h4-6,8H,7H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyRQZZSCQMGHYRQW-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.67
Rot. Bonds5

About 2,5-dimethoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide

2,5-dimethoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide (PubChem CID 60736054) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2,5-dimethoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name2,5-dimethoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
PubChem CID60736054
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name2,5-dimethoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
SMILESCOc1ccc(OC)c(C(=O)NCc2cn[nH]c2C)c1
InChIInChI=1S/C14H17N3O3/c1-9-10(8-16-17-9)7-15-14(18)12-6-11(19-2)4-5-13(12)20-3/h4-6,8H,7H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyRQZZSCQMGHYRQW-UHFFFAOYSA-N
XLogP1.67
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 60736020
N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-fluoro-4-methoxybenzamide
CID 102884080
2-amino-5-methoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
CID 62039591
2,5-dimethoxy-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]benzamide
CID 49354460
5-amino-2-methoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
CID 62040232
N-[(4-hydroxyphenyl)methyl]-2,5-dimethoxybenzamide
CID 115577613
5-(3-methoxyphenyl)-N-[(2-methylphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 71824347
2,4-dimethoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide
CID 61021419
5-(3-hydroxyprop-1-ynyl)-2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 65311338
2,5-dimethoxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 64531620
N-(2-aminopropyl)-2,5-dimethoxybenzamide
CID 63731879
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-propoxybenzamide
CID 61021408

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide?
The IUPAC name of 2,5-dimethoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide (CID 60736054) is 2,5-dimethoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide.
What is the SMILES notation for 2,5-dimethoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide?
The canonical SMILES for 2,5-dimethoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide is COc1ccc(OC)c(C(=O)NCc2cn[nH]c2C)c1.
What is the InChIKey of 2,5-dimethoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide?
The InChIKey is RQZZSCQMGHYRQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-9-10(8-16-17-9)7-15-14(18)12-6-11(19-2)4-5-13(12)20-3/h4-6,8H,7H2,1-3H3,(H,15,18)(H,16,17).
What are the key properties of 2,5-dimethoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide?
2,5-dimethoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide has a molecular weight of 275.31 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide is sourced from PubChem (CID 60736054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).