2-chloro-4-fluoro-N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]benzamide

C15H15ClFN3O — CID 91819370

IUPAC2-chloro-4-fluoro-N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]benzamide
SMILESCn1nc2c(c1CNC(=O)c1ccc(F)cc1Cl)CCC2
InChIInChI=1S/C15H15ClFN3O/c1-20-14(11-3-2-4-13(11)19-20)8-18-15(21)10-6-5-9(17)7-12(10)16/h5-7H,2-4,8H2,1H3,(H,18,21)
InChIKeyVYUVDTVAWGSAJY-UHFFFAOYSA-N
MW307.76 g/mol
LogP2.63
Rot. Bonds3

About 2-chloro-4-fluoro-N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]benzamide

2-chloro-4-fluoro-N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]benzamide (PubChem CID 91819370) has the molecular formula C15H15ClFN3O and a molecular weight of 307.76 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]benzamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]benzamide
PubChem CID91819370
Molecular FormulaC15H15ClFN3O
Molecular Weight307.76 g/mol
Exact Mass307.09
IUPAC Name2-chloro-4-fluoro-N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]benzamide
SMILESCn1nc2c(c1CNC(=O)c1ccc(F)cc1Cl)CCC2
InChIInChI=1S/C15H15ClFN3O/c1-20-14(11-3-2-4-13(11)19-20)8-18-15(21)10-6-5-9(17)7-12(10)16/h5-7H,2-4,8H2,1H3,(H,18,21)
InChIKeyVYUVDTVAWGSAJY-UHFFFAOYSA-N
XLogP2.63
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.76
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(4-chlorobenzyl)-1,3-dimethyl-1H-pyrazole-5-carboxamide
CID 1231799
N-(2-Chloro-4-Fluorobenzyl)-4-[(3,5-Dimethyl-1h-Pyrazol-1-Yl)methyl]benzamide
CID 91820715
2-chloro-N-[3-[2-[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinyl]-3-oxopropyl]benzamide
CID 7969446
N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-[2-(dimethylamino)ethyl]-3,5-dimethylpyrazol-4-yl]acetamide
CID 25106658
N-[(2-chloro-4-fluorophenyl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 25106660
2-(1-benzyl-3,5-dimethylpyrazol-4-yl)-N-[(2-chloro-4-fluorophenyl)methyl]acetamide
CID 25106741
3-Chloro-N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl)benzamide
CID 745024
1-(2-chlorobenzoyl)-3,5-dimethyl-1H-pyrazole
CID 785958
4-chloro-N-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)benzamide
CID 832057
4-chloro-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CID 703686
2-Chloro-N-[3-(3,5-dimethyl-pyrazol-1-yl)-3-oxo-propyl]-benzamide
CID 1080075
N-[(2-chloro-4-fluorophenyl)methyl]-3-(2,5-dimethylpyrazol-3-yl)propanamide
CID 49863108

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]benzamide?
The IUPAC name of 2-chloro-4-fluoro-N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]benzamide (CID 91819370) is 2-chloro-4-fluoro-N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]benzamide.
What is the SMILES notation for 2-chloro-4-fluoro-N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]benzamide?
The canonical SMILES for 2-chloro-4-fluoro-N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]benzamide is Cn1nc2c(c1CNC(=O)c1ccc(F)cc1Cl)CCC2.
What is the InChIKey of 2-chloro-4-fluoro-N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]benzamide?
The InChIKey is VYUVDTVAWGSAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN3O/c1-20-14(11-3-2-4-13(11)19-20)8-18-15(21)10-6-5-9(17)7-12(10)16/h5-7H,2-4,8H2,1H3,(H,18,21).
What are the key properties of 2-chloro-4-fluoro-N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]benzamide?
2-chloro-4-fluoro-N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]benzamide has a molecular weight of 307.76 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]benzamide is sourced from PubChem (CID 91819370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).