4-chloro-N-[1-(methoxymethyl)pyrazol-4-yl]benzamide

C12H12ClN3O2 — CID 19411114

IUPAC4-chloro-N-[1-(methoxymethyl)pyrazol-4-yl]benzamide
SMILESCOCn1cc(NC(=O)c2ccc(Cl)cc2)cn1
InChIInChI=1S/C12H12ClN3O2/c1-18-8-16-7-11(6-14-16)15-12(17)9-2-4-10(13)5-3-9/h2-7H,8H2,1H3,(H,15,17)
InChIKeyUHEBISJOZJAESF-UHFFFAOYSA-N
MW265.70 g/mol
LogP2.39
Rot. Bonds4

About 4-chloro-N-[1-(methoxymethyl)pyrazol-4-yl]benzamide

4-chloro-N-[1-(methoxymethyl)pyrazol-4-yl]benzamide (PubChem CID 19411114) has the molecular formula C12H12ClN3O2 and a molecular weight of 265.70 g/mol. Its IUPAC name is 4-chloro-N-[1-(methoxymethyl)pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[1-(methoxymethyl)pyrazol-4-yl]benzamide
PubChem CID19411114
Molecular FormulaC12H12ClN3O2
Molecular Weight265.70 g/mol
Exact Mass265.06
IUPAC Name4-chloro-N-[1-(methoxymethyl)pyrazol-4-yl]benzamide
SMILESCOCn1cc(NC(=O)c2ccc(Cl)cc2)cn1
InChIInChI=1S/C12H12ClN3O2/c1-18-8-16-7-11(6-14-16)15-12(17)9-2-4-10(13)5-3-9/h2-7H,8H2,1H3,(H,15,17)
InChIKeyUHEBISJOZJAESF-UHFFFAOYSA-N
XLogP2.39
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 ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(methoxymethyl)pyrazol-4-yl]-4-nitrobenzamide
CID 19411100
tert-butyl N-[4-[[1-(methoxymethyl)pyrazol-4-yl]carbamoyl]phenyl]carbamate
CID 126827802
4-[(4-chlorophenoxy)methyl]-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]benzamide
CID 19406514
2,3-dichloro-N-[1-(methoxymethyl)pyrazol-4-yl]benzamide
CID 19411065
3-fluoro-N-[1-(methoxymethyl)pyrazol-4-yl]benzamide
CID 19410971
4-chloro-N-[1-(methoxymethyl)pyrazol-4-yl]-1-methylpyrazole-5-carboxamide
CID 19475994
1-ethyl-N-[1-(methoxymethyl)pyrazol-4-yl]pyrazole-3-carboxamide
CID 19262380
3-[4-[[1-(methoxymethyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19471366
methyl 2-[4-[(3-chloro-4-fluorobenzoyl)amino]pyrazol-1-yl]acetate
CID 81422798
4-[(4-chlorophenoxy)methyl]-N-[1-(methoxymethyl)pyrazol-4-yl]thiophene-2-carboxamide
CID 19503442
2-chloro-N-[1-(methoxymethyl)pyrazol-4-yl]-5-methylsulfanylbenzamide
CID 19410939
N-[1-(methoxymethyl)pyrazol-4-yl]propanamide
CID 19411093

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(methoxymethyl)pyrazol-4-yl]benzamide?
The IUPAC name of 4-chloro-N-[1-(methoxymethyl)pyrazol-4-yl]benzamide (CID 19411114) is 4-chloro-N-[1-(methoxymethyl)pyrazol-4-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[1-(methoxymethyl)pyrazol-4-yl]benzamide?
The canonical SMILES for 4-chloro-N-[1-(methoxymethyl)pyrazol-4-yl]benzamide is COCn1cc(NC(=O)c2ccc(Cl)cc2)cn1.
What is the InChIKey of 4-chloro-N-[1-(methoxymethyl)pyrazol-4-yl]benzamide?
The InChIKey is UHEBISJOZJAESF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O2/c1-18-8-16-7-11(6-14-16)15-12(17)9-2-4-10(13)5-3-9/h2-7H,8H2,1H3,(H,15,17).
What are the key properties of 4-chloro-N-[1-(methoxymethyl)pyrazol-4-yl]benzamide?
4-chloro-N-[1-(methoxymethyl)pyrazol-4-yl]benzamide has a molecular weight of 265.70 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(methoxymethyl)pyrazol-4-yl]benzamide is sourced from PubChem (CID 19411114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).