N-(4-cyano-2-methoxyphenyl)-1,3,5-trimethylpyrazole-4-carboxamide

C15H16N4O2 — CID 104849120

IUPACN-(4-cyano-2-methoxyphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
SMILESCOc1cc(C#N)ccc1NC(=O)c1c(C)nn(C)c1C
InChIInChI=1S/C15H16N4O2/c1-9-14(10(2)19(3)18-9)15(20)17-12-6-5-11(8-16)7-13(12)21-4/h5-7H,1-4H3,(H,17,20)
InChIKeyJBUZTLFSQGECJG-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.17
Rot. Bonds3

About N-(4-cyano-2-methoxyphenyl)-1,3,5-trimethylpyrazole-4-carboxamide

N-(4-cyano-2-methoxyphenyl)-1,3,5-trimethylpyrazole-4-carboxamide (PubChem CID 104849120) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is N-(4-cyano-2-methoxyphenyl)-1,3,5-trimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-cyano-2-methoxyphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
PubChem CID104849120
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC NameN-(4-cyano-2-methoxyphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
SMILESCOc1cc(C#N)ccc1NC(=O)c1c(C)nn(C)c1C
InChIInChI=1S/C15H16N4O2/c1-9-14(10(2)19(3)18-9)15(20)17-12-6-5-11(8-16)7-13(12)21-4/h5-7H,1-4H3,(H,17,20)
InChIKeyJBUZTLFSQGECJG-UHFFFAOYSA-N
XLogP2.17
TPSA79.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-cyano-2-methoxyphenyl)-2,4,5-trimethylfuran-3-carboxamide
CID 104848980
N-(3,4-dimethoxyphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 36763541
N-(4-cyano-2-methoxyphenyl)-1-ethyl-5-methylpyrazole-4-carboxamide
CID 154780004
N-(2-cyano-4-nitrophenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 19281743
(2S)-2-(4-cyano-2-methoxyphenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 27909199
3,5-dichloro-N-(4-cyano-2-methoxyphenyl)benzamide
CID 104849139
4-amino-N-(4-cyano-2-methoxyphenyl)-3-methylbenzamide
CID 104847820
2-chloro-N-(4-cyano-2-methoxyphenyl)-6-methylpyridine-4-carboxamide
CID 104848528
2-amino-N-(4-cyano-2-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 104848874
5-bromo-N-(4-cyano-2-methoxyphenyl)-2-methylbenzamide
CID 104848978
3-(4-cyano-2-methoxyphenyl)-1,1-diethylurea
CID 104844636
N-(2-bromo-4-methylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 28742902

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-2-methoxyphenyl)-1,3,5-trimethylpyrazole-4-carboxamide?
The IUPAC name of N-(4-cyano-2-methoxyphenyl)-1,3,5-trimethylpyrazole-4-carboxamide (CID 104849120) is N-(4-cyano-2-methoxyphenyl)-1,3,5-trimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(4-cyano-2-methoxyphenyl)-1,3,5-trimethylpyrazole-4-carboxamide?
The canonical SMILES for N-(4-cyano-2-methoxyphenyl)-1,3,5-trimethylpyrazole-4-carboxamide is COc1cc(C#N)ccc1NC(=O)c1c(C)nn(C)c1C.
What is the InChIKey of N-(4-cyano-2-methoxyphenyl)-1,3,5-trimethylpyrazole-4-carboxamide?
The InChIKey is JBUZTLFSQGECJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-9-14(10(2)19(3)18-9)15(20)17-12-6-5-11(8-16)7-13(12)21-4/h5-7H,1-4H3,(H,17,20).
What are the key properties of N-(4-cyano-2-methoxyphenyl)-1,3,5-trimethylpyrazole-4-carboxamide?
N-(4-cyano-2-methoxyphenyl)-1,3,5-trimethylpyrazole-4-carboxamide has a molecular weight of 284.32 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-2-methoxyphenyl)-1,3,5-trimethylpyrazole-4-carboxamide is sourced from PubChem (CID 104849120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).