2-[(4-chlorophenoxy)methyl]-N-methylpyrazole-3-carboxamide

C12H12ClN3O2 — CID 19507567

IUPAC2-[(4-chlorophenoxy)methyl]-N-methylpyrazole-3-carboxamide
SMILESCNC(=O)c1ccnn1COc1ccc(Cl)cc1
InChIInChI=1S/C12H12ClN3O2/c1-14-12(17)11-6-7-15-16(11)8-18-10-4-2-9(13)3-5-10/h2-7H,8H2,1H3,(H,14,17)
InChIKeyDJOKCOWPKIVTRC-UHFFFAOYSA-N
MW265.70 g/mol
LogP1.93
Rot. Bonds4

About 2-[(4-chlorophenoxy)methyl]-N-methylpyrazole-3-carboxamide

2-[(4-chlorophenoxy)methyl]-N-methylpyrazole-3-carboxamide (PubChem CID 19507567) has the molecular formula C12H12ClN3O2 and a molecular weight of 265.70 g/mol. Its IUPAC name is 2-[(4-chlorophenoxy)methyl]-N-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name2-[(4-chlorophenoxy)methyl]-N-methylpyrazole-3-carboxamide
PubChem CID19507567
Molecular FormulaC12H12ClN3O2
Molecular Weight265.70 g/mol
Exact Mass265.06
IUPAC Name2-[(4-chlorophenoxy)methyl]-N-methylpyrazole-3-carboxamide
SMILESCNC(=O)c1ccnn1COc1ccc(Cl)cc1
InChIInChI=1S/C12H12ClN3O2/c1-14-12(17)11-6-7-15-16(11)8-18-10-4-2-9(13)3-5-10/h2-7H,8H2,1H3,(H,14,17)
InChIKeyDJOKCOWPKIVTRC-UHFFFAOYSA-N
XLogP1.93
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-2-[(4-chlorophenoxy)methyl]pyrazole-3-carboxamide
CID 19507416
2-[(4-chlorophenoxy)methyl]pyrazole-3-carboxylate
CID 7017629
2-[(4-chlorophenoxy)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]pyrazole-3-carboxamide
CID 19294713
2-[(4-chlorophenoxy)methyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide
CID 19507558
2-[(4-chlorophenoxy)methyl]-N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]pyrazole-3-carboxamide
CID 19284118
2-[(4-chlorophenoxy)methyl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
CID 19507370
N-[3-(4-bromopyrazol-1-yl)propyl]-2-[(4-chlorophenoxy)methyl]pyrazole-3-carboxamide
CID 19297661
2-[(4-chlorophenoxy)methyl]-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]pyrazole-3-carboxamide
CID 19507426
4-[[2-[(4-chlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-1-ethyl-N-propylpyrazole-3-carboxamide
CID 19400126
2-[(4-chlorophenoxy)methyl]-N-[2-(difluoromethoxy)-4-methylphenyl]pyrazole-3-carboxamide
CID 19507442
N-[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-2-[(4-chlorophenoxy)methyl]pyrazole-3-carboxamide
CID 19394755
2-[(4-chlorophenoxy)methyl]-N-(4-ethoxy-2-nitrophenyl)pyrazole-3-carboxamide
CID 19507397

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenoxy)methyl]-N-methylpyrazole-3-carboxamide?
The IUPAC name of 2-[(4-chlorophenoxy)methyl]-N-methylpyrazole-3-carboxamide (CID 19507567) is 2-[(4-chlorophenoxy)methyl]-N-methylpyrazole-3-carboxamide.
What is the SMILES notation for 2-[(4-chlorophenoxy)methyl]-N-methylpyrazole-3-carboxamide?
The canonical SMILES for 2-[(4-chlorophenoxy)methyl]-N-methylpyrazole-3-carboxamide is CNC(=O)c1ccnn1COc1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenoxy)methyl]-N-methylpyrazole-3-carboxamide?
The InChIKey is DJOKCOWPKIVTRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O2/c1-14-12(17)11-6-7-15-16(11)8-18-10-4-2-9(13)3-5-10/h2-7H,8H2,1H3,(H,14,17).
What are the key properties of 2-[(4-chlorophenoxy)methyl]-N-methylpyrazole-3-carboxamide?
2-[(4-chlorophenoxy)methyl]-N-methylpyrazole-3-carboxamide has a molecular weight of 265.70 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenoxy)methyl]-N-methylpyrazole-3-carboxamide is sourced from PubChem (CID 19507567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).