N-(4-methoxyphenyl)-N-methyl-1H-pyrazole-4-carboxamide

C12H13N3O2 — CID 62003471

IUPACN-(4-methoxyphenyl)-N-methyl-1H-pyrazole-4-carboxamide
SMILESCOc1ccc(N(C)C(=O)c2cn[nH]c2)cc1
InChIInChI=1S/C12H13N3O2/c1-15(12(16)9-7-13-14-8-9)10-3-5-11(17-2)6-4-10/h3-8H,1-2H3,(H,13,14)
InChIKeyKPPVEVKFCCMPGK-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.69
Rot. Bonds3

About N-(4-methoxyphenyl)-N-methyl-1H-pyrazole-4-carboxamide

N-(4-methoxyphenyl)-N-methyl-1H-pyrazole-4-carboxamide (PubChem CID 62003471) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-N-methyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-N-methyl-1H-pyrazole-4-carboxamide
PubChem CID62003471
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC NameN-(4-methoxyphenyl)-N-methyl-1H-pyrazole-4-carboxamide
SMILESCOc1ccc(N(C)C(=O)c2cn[nH]c2)cc1
InChIInChI=1S/C12H13N3O2/c1-15(12(16)9-7-13-14-8-9)10-3-5-11(17-2)6-4-10/h3-8H,1-2H3,(H,13,14)
InChIKeyKPPVEVKFCCMPGK-UHFFFAOYSA-N
XLogP1.69
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-N-(4-methoxyphenyl)-N-methylpyridine-3-carboxamide
CID 66463737
N-(4-methoxyphenyl)-N,2-dimethyl-1H-imidazole-5-carboxamide
CID 110467542
(4-methoxyphenyl)-methylcarbamic acid
CID 22047987
3-bromo-4-methoxy-N-(4-methoxyphenyl)-N-methylbenzamide
CID 62001887
methyl 2-[methyl(1H-pyrazole-4-carbonyl)amino]benzoate
CID 43623067
3-bromo-4-fluoro-N-(4-methoxyphenyl)-N-methylbenzamide
CID 107952297
4-chloro-N-(4-methoxyphenyl)-N-methylpyridine-3-carboxamide
CID 81226687
N,N-diphenyl-1H-pyrazole-4-carboxamide
CID 91240587
4-amino-N-(4-methoxyphenyl)-N,5-dimethyl-1H-pyrazole-3-carboxamide
CID 62082318
4-methoxy-N-(3-methoxyphenyl)-N-methylbenzamide
CID 23508483
1-(4-methoxyphenyl)-1,3-dimethylurea
CID 116655338
N-[4-[2-(diethylamino)ethoxy]phenyl]-4-methoxy-N-methylbenzamide
CID 70967812

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-N-methyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-N-methyl-1H-pyrazole-4-carboxamide (CID 62003471) is N-(4-methoxyphenyl)-N-methyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-N-methyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-N-methyl-1H-pyrazole-4-carboxamide is COc1ccc(N(C)C(=O)c2cn[nH]c2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-N-methyl-1H-pyrazole-4-carboxamide?
The InChIKey is KPPVEVKFCCMPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-15(12(16)9-7-13-14-8-9)10-3-5-11(17-2)6-4-10/h3-8H,1-2H3,(H,13,14).
What are the key properties of N-(4-methoxyphenyl)-N-methyl-1H-pyrazole-4-carboxamide?
N-(4-methoxyphenyl)-N-methyl-1H-pyrazole-4-carboxamide has a molecular weight of 231.25 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-N-methyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 62003471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).