2,3-dichloro-N-[1-(methoxymethyl)pyrazol-4-yl]benzamide

C12H11Cl2N3O2 — CID 19411065

IUPAC2,3-dichloro-N-[1-(methoxymethyl)pyrazol-4-yl]benzamide
SMILESCOCn1cc(NC(=O)c2cccc(Cl)c2Cl)cn1
InChIInChI=1S/C12H11Cl2N3O2/c1-19-7-17-6-8(5-15-17)16-12(18)9-3-2-4-10(13)11(9)14/h2-6H,7H2,1H3,(H,16,18)
InChIKeyAHBHQJAVTPYBRU-UHFFFAOYSA-N
MW300.15 g/mol
LogP3.05
Rot. Bonds4

About 2,3-dichloro-N-[1-(methoxymethyl)pyrazol-4-yl]benzamide

2,3-dichloro-N-[1-(methoxymethyl)pyrazol-4-yl]benzamide (PubChem CID 19411065) has the molecular formula C12H11Cl2N3O2 and a molecular weight of 300.15 g/mol. Its IUPAC name is 2,3-dichloro-N-[1-(methoxymethyl)pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name2,3-dichloro-N-[1-(methoxymethyl)pyrazol-4-yl]benzamide
PubChem CID19411065
Molecular FormulaC12H11Cl2N3O2
Molecular Weight300.15 g/mol
Exact Mass299.02
IUPAC Name2,3-dichloro-N-[1-(methoxymethyl)pyrazol-4-yl]benzamide
SMILESCOCn1cc(NC(=O)c2cccc(Cl)c2Cl)cn1
InChIInChI=1S/C12H11Cl2N3O2/c1-19-7-17-6-8(5-15-17)16-12(18)9-3-2-4-10(13)11(9)14/h2-6H,7H2,1H3,(H,16,18)
InChIKeyAHBHQJAVTPYBRU-UHFFFAOYSA-N
XLogP3.05
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.15
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-iodo-N-[1-(methoxymethyl)pyrazol-4-yl]benzamide
CID 19410901
2-chloro-N-[1-(ethoxymethyl)pyrazol-4-yl]benzamide
CID 19340469
2-chloro-N-[1-(methoxymethyl)pyrazol-4-yl]-5-methylsulfanylbenzamide
CID 19410939
4-chloro-N-[1-(methoxymethyl)pyrazol-4-yl]benzamide
CID 19411114
2,3-dichloro-N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]benzamide
CID 19338545
methyl 2-[4-[(3-chloro-2-methylbenzoyl)amino]pyrazol-1-yl]acetate
CID 99843425
2,3-dichloro-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19336536
4-chloro-N-[1-(methoxymethyl)pyrazol-4-yl]-1-methylpyrazole-5-carboxamide
CID 19475994
2-chloro-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19395454
methyl 2-[[4-[(2-chlorobenzoyl)amino]pyrazol-1-yl]methyl]benzoate
CID 19402203
3-fluoro-N-[1-(methoxymethyl)pyrazol-4-yl]benzamide
CID 19410971
1-ethyl-N-[1-(methoxymethyl)pyrazol-4-yl]pyrazole-3-carboxamide
CID 19262380

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[1-(methoxymethyl)pyrazol-4-yl]benzamide?
The IUPAC name of 2,3-dichloro-N-[1-(methoxymethyl)pyrazol-4-yl]benzamide (CID 19411065) is 2,3-dichloro-N-[1-(methoxymethyl)pyrazol-4-yl]benzamide.
What is the SMILES notation for 2,3-dichloro-N-[1-(methoxymethyl)pyrazol-4-yl]benzamide?
The canonical SMILES for 2,3-dichloro-N-[1-(methoxymethyl)pyrazol-4-yl]benzamide is COCn1cc(NC(=O)c2cccc(Cl)c2Cl)cn1.
What is the InChIKey of 2,3-dichloro-N-[1-(methoxymethyl)pyrazol-4-yl]benzamide?
The InChIKey is AHBHQJAVTPYBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N3O2/c1-19-7-17-6-8(5-15-17)16-12(18)9-3-2-4-10(13)11(9)14/h2-6H,7H2,1H3,(H,16,18).
What are the key properties of 2,3-dichloro-N-[1-(methoxymethyl)pyrazol-4-yl]benzamide?
2,3-dichloro-N-[1-(methoxymethyl)pyrazol-4-yl]benzamide has a molecular weight of 300.15 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[1-(methoxymethyl)pyrazol-4-yl]benzamide is sourced from PubChem (CID 19411065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).