N-(3,4-dimethoxyphenyl)-1,3-dimethylpyrazole-4-carboxamide

C14H17N3O3 — CID 45285321

IUPACN-(3,4-dimethoxyphenyl)-1,3-dimethylpyrazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cn(C)nc2C)cc1OC
InChIInChI=1S/C14H17N3O3/c1-9-11(8-17(2)16-9)14(18)15-10-5-6-12(19-3)13(7-10)20-4/h5-8H,1-4H3,(H,15,18)
InChIKeyRJSXGGSPZRWZBI-UHFFFAOYSA-N
MW275.31 g/mol
LogP2.00
Rot. Bonds4

About N-(3,4-dimethoxyphenyl)-1,3-dimethylpyrazole-4-carboxamide

N-(3,4-dimethoxyphenyl)-1,3-dimethylpyrazole-4-carboxamide (PubChem CID 45285321) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-1,3-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-1,3-dimethylpyrazole-4-carboxamide
PubChem CID45285321
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC NameN-(3,4-dimethoxyphenyl)-1,3-dimethylpyrazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cn(C)nc2C)cc1OC
InChIInChI=1S/C14H17N3O3/c1-9-11(8-17(2)16-9)14(18)15-10-5-6-12(19-3)13(7-10)20-4/h5-8H,1-4H3,(H,15,18)
InChIKeyRJSXGGSPZRWZBI-UHFFFAOYSA-N
XLogP2.00
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-hydroxyphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 45285310
N-(3,4-dimethoxyphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 36763541
N-(4-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 45285306
N-[4-(hydroxymethyl)phenyl]-1,3-dimethylpyrazole-4-carboxamide
CID 103895193
N-(3,4-dimethoxyphenyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 16621214
N-(3-tert-butylphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 158670361
N-(3,4-dimethoxyphenyl)-2,4-dimethylpyrimidine-5-carboxamide
CID 92648403
N-(3-carbamothioylphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 102801518
2-[(1,3-dimethylpyrazole-4-carbonyl)amino]-5-methoxybenzoic acid
CID 102801339
N-(5-acetamido-2-methoxyphenyl)-3-methoxy-1-methylpyrazole-4-carboxamide
CID 16820968
2-chloro-4-[(1,3-dimethylpyrazole-4-carbonyl)amino]benzenesulfonyl chloride
CID 102801412
N-(3-chloro-4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 87008367

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-1,3-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-1,3-dimethylpyrazole-4-carboxamide (CID 45285321) is N-(3,4-dimethoxyphenyl)-1,3-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-1,3-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-1,3-dimethylpyrazole-4-carboxamide is COc1ccc(NC(=O)c2cn(C)nc2C)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-1,3-dimethylpyrazole-4-carboxamide?
The InChIKey is RJSXGGSPZRWZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-9-11(8-17(2)16-9)14(18)15-10-5-6-12(19-3)13(7-10)20-4/h5-8H,1-4H3,(H,15,18).
What are the key properties of N-(3,4-dimethoxyphenyl)-1,3-dimethylpyrazole-4-carboxamide?
N-(3,4-dimethoxyphenyl)-1,3-dimethylpyrazole-4-carboxamide has a molecular weight of 275.31 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-1,3-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 45285321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).