N-(3,5-dimethoxyphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide

C14H17N3O3 — CID 43582482

IUPACN-(3,5-dimethoxyphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
SMILESCOc1cc(NC(=O)c2c(C)n[nH]c2C)cc(OC)c1
InChIInChI=1S/C14H17N3O3/c1-8-13(9(2)17-16-8)14(18)15-10-5-11(19-3)7-12(6-10)20-4/h5-7H,1-4H3,(H,15,18)(H,16,17)
InChIKeyZJNZJZCOKIKNCV-UHFFFAOYSA-N
MW275.31 g/mol
LogP2.30
Rot. Bonds4

About N-(3,5-dimethoxyphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide

N-(3,5-dimethoxyphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide (PubChem CID 43582482) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
PubChem CID43582482
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC NameN-(3,5-dimethoxyphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
SMILESCOc1cc(NC(=O)c2c(C)n[nH]c2C)cc(OC)c1
InChIInChI=1S/C14H17N3O3/c1-8-13(9(2)17-16-8)14(18)15-10-5-11(19-3)7-12(6-10)20-4/h5-7H,1-4H3,(H,15,18)(H,16,17)
InChIKeyZJNZJZCOKIKNCV-UHFFFAOYSA-N
XLogP2.30
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethoxyphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 43582479
N-(3,5-dichlorophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 43582492
3-amino-N-(3-bromo-5-methoxyphenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 82859958
4-amino-N-(3,5-dimethoxyphenyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 62082085
3,5-dimethyl-N-(4-propan-2-yloxyphenyl)-1H-pyrazole-4-carboxamide
CID 43583048
N-(6-chloro-5-methyl-3-pyridinyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 113366853
N-[3-(cyanomethoxy)phenyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 61276278
N-(3-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 43582601
N-(5-chloro-2,4-dimethoxyphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 43582490
N-(3,5-dimethyl-1H-pyrazol-4-yl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 43582921
N-(4-acetamido-3-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 61274560
methyl 3,5-dimethyl-1H-pyrazole-4-carboxylate
CID 2753080

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide (CID 43582482) is N-(3,5-dimethoxyphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide is COc1cc(NC(=O)c2c(C)n[nH]c2C)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The InChIKey is ZJNZJZCOKIKNCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-8-13(9(2)17-16-8)14(18)15-10-5-11(19-3)7-12(6-10)20-4/h5-7H,1-4H3,(H,15,18)(H,16,17).
What are the key properties of N-(3,5-dimethoxyphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
N-(3,5-dimethoxyphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide has a molecular weight of 275.31 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 43582482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).