N-[4-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-3-yl]pyrazine-2-carboxamide

C17H17N5O3 — CID 53198450

IUPACN-[4-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-3-yl]pyrazine-2-carboxamide
SMILESCOc1ccc(-c2c(NC(=O)c3cnccn3)n[nH]c2C)cc1OC
InChIInChI=1S/C17H17N5O3/c1-10-15(11-4-5-13(24-2)14(8-11)25-3)16(22-21-10)20-17(23)12-9-18-6-7-19-12/h4-9H,1-3H3,(H2,20,21,22,23)
InChIKeySNWGEWXJALHTDY-UHFFFAOYSA-N
MW339.36 g/mol
LogP2.44
Rot. Bonds5

About N-[4-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-3-yl]pyrazine-2-carboxamide

N-[4-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-3-yl]pyrazine-2-carboxamide (PubChem CID 53198450) has the molecular formula C17H17N5O3 and a molecular weight of 339.36 g/mol. Its IUPAC name is N-[4-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-3-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-3-yl]pyrazine-2-carboxamide
PubChem CID53198450
Molecular FormulaC17H17N5O3
Molecular Weight339.36 g/mol
Exact Mass339.13
IUPAC NameN-[4-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-3-yl]pyrazine-2-carboxamide
SMILESCOc1ccc(-c2c(NC(=O)c3cnccn3)n[nH]c2C)cc1OC
InChIInChI=1S/C17H17N5O3/c1-10-15(11-4-5-13(24-2)14(8-11)25-3)16(22-21-10)20-17(23)12-9-18-6-7-19-12/h4-9H,1-3H3,(H2,20,21,22,23)
InChIKeySNWGEWXJALHTDY-UHFFFAOYSA-N
XLogP2.44
TPSA102.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-2-methoxybenzamide
CID 53198463
N-(7-methoxy-1H-pyrazolo[5,4-b]quinolin-3-yl)pyrazine-2-carboxamide
CID 6619665
4-bromo-N-[4-(3,4-diethoxyphenyl)-5-methyl-1H-pyrazol-3-yl]benzamide
CID 53206436
2-(4-chlorophenoxy)-N-[5-methyl-4-(3,4,5-trimethoxyphenyl)-1H-pyrazol-3-yl]acetamide
CID 53197969
N'-(3,4-dimethoxyphenyl)sulfonylpyrazine-2-carbohydrazide
CID 18231234
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide
CID 3914278
N-(1H-indazol-3-yl)pyrazine-2-carboxamide
CID 60729729
N-(4-methoxy-3-nitrophenyl)pyrazine-2-carboxamide
CID 108796825
N'-(2,4,5-trimethoxybenzoyl)pyrazine-2-carbohydrazide
CID 42016001
N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 110792705
N-(2,4,5-trimethylphenyl)pyrazine-2-carboxamide
CID 110792925
(2,5-dimethoxyphenyl)-pyrazin-2-ylmethanone
CID 62802669

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-3-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[4-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-3-yl]pyrazine-2-carboxamide (CID 53198450) is N-[4-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-3-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[4-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-3-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[4-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-3-yl]pyrazine-2-carboxamide is COc1ccc(-c2c(NC(=O)c3cnccn3)n[nH]c2C)cc1OC.
What is the InChIKey of N-[4-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-3-yl]pyrazine-2-carboxamide?
The InChIKey is SNWGEWXJALHTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3/c1-10-15(11-4-5-13(24-2)14(8-11)25-3)16(22-21-10)20-17(23)12-9-18-6-7-19-12/h4-9H,1-3H3,(H2,20,21,22,23).
What are the key properties of N-[4-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-3-yl]pyrazine-2-carboxamide?
N-[4-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-3-yl]pyrazine-2-carboxamide has a molecular weight of 339.36 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-3-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 53198450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).