N-[3-chloro-2-(methoxymethyl)phenyl]-3-methoxy-1-methylpyrazole-4-carboxamide

C14H16ClN3O3 — CID 167851785

IUPACN-[3-chloro-2-(methoxymethyl)phenyl]-3-methoxy-1-methylpyrazole-4-carboxamide
SMILESCOCc1c(Cl)cccc1NC(=O)c1cn(C)nc1OC
InChIInChI=1S/C14H16ClN3O3/c1-18-7-9(14(17-18)21-3)13(19)16-12-6-4-5-11(15)10(12)8-20-2/h4-7H,8H2,1-3H3,(H,16,19)
InChIKeyCTWOSYRAKRHTQZ-UHFFFAOYSA-N
MW309.75 g/mol
LogP2.48
Rot. Bonds5

About N-[3-chloro-2-(methoxymethyl)phenyl]-3-methoxy-1-methylpyrazole-4-carboxamide

N-[3-chloro-2-(methoxymethyl)phenyl]-3-methoxy-1-methylpyrazole-4-carboxamide (PubChem CID 167851785) has the molecular formula C14H16ClN3O3 and a molecular weight of 309.75 g/mol. Its IUPAC name is N-[3-chloro-2-(methoxymethyl)phenyl]-3-methoxy-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-2-(methoxymethyl)phenyl]-3-methoxy-1-methylpyrazole-4-carboxamide
PubChem CID167851785
Molecular FormulaC14H16ClN3O3
Molecular Weight309.75 g/mol
Exact Mass309.09
IUPAC NameN-[3-chloro-2-(methoxymethyl)phenyl]-3-methoxy-1-methylpyrazole-4-carboxamide
SMILESCOCc1c(Cl)cccc1NC(=O)c1cn(C)nc1OC
InChIInChI=1S/C14H16ClN3O3/c1-18-7-9(14(17-18)21-3)13(19)16-12-6-4-5-11(15)10(12)8-20-2/h4-7H,8H2,1-3H3,(H,16,19)
InChIKeyCTWOSYRAKRHTQZ-UHFFFAOYSA-N
XLogP2.48
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.75
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dichloro-N-[3-chloro-2-(methoxymethyl)phenyl]-5-fluorobenzamide
CID 71919092
N-[2-(2,3-dichloroanilino)-2-oxoethyl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 121091914
N-(3-cyclopropyl-1-methylpyrazol-4-yl)-3-methoxy-1-methylpyrazole-4-carboxamide
CID 167856488
N-[6-(hydrazinecarbonyl)-2-pyridinyl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 146381550
N-(5-acetamido-2-methoxyphenyl)-3-methoxy-1-methylpyrazole-4-carboxamide
CID 16820968
N-(2,6-dichlorophenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 19474782
N-(4-ethyl-1,3-benzothiazol-2-yl)-3-methoxy-1-methylpyrazole-4-carboxamide
CID 43989583
3-methoxy-1-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyrazole-4-carboxamide
CID 121091888
N-[3-bromo-2-(methoxymethyl)phenyl]-2-chloropyridine-3-carboxamide
CID 61215492
N-[2-(2-cyanoanilino)-2-oxoethyl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 121091901
N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 122319426
3-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbenzamide
CID 100703491

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-2-(methoxymethyl)phenyl]-3-methoxy-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[3-chloro-2-(methoxymethyl)phenyl]-3-methoxy-1-methylpyrazole-4-carboxamide (CID 167851785) is N-[3-chloro-2-(methoxymethyl)phenyl]-3-methoxy-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[3-chloro-2-(methoxymethyl)phenyl]-3-methoxy-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[3-chloro-2-(methoxymethyl)phenyl]-3-methoxy-1-methylpyrazole-4-carboxamide is COCc1c(Cl)cccc1NC(=O)c1cn(C)nc1OC.
What is the InChIKey of N-[3-chloro-2-(methoxymethyl)phenyl]-3-methoxy-1-methylpyrazole-4-carboxamide?
The InChIKey is CTWOSYRAKRHTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O3/c1-18-7-9(14(17-18)21-3)13(19)16-12-6-4-5-11(15)10(12)8-20-2/h4-7H,8H2,1-3H3,(H,16,19).
What are the key properties of N-[3-chloro-2-(methoxymethyl)phenyl]-3-methoxy-1-methylpyrazole-4-carboxamide?
N-[3-chloro-2-(methoxymethyl)phenyl]-3-methoxy-1-methylpyrazole-4-carboxamide has a molecular weight of 309.75 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-2-(methoxymethyl)phenyl]-3-methoxy-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 167851785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).