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

C16H18ClN3O2 — CID 91819365

IUPAC5-chloro-2-methoxy-N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCc1c2c(nn1C)CCC2
InChIInChI=1S/C16H18ClN3O2/c1-20-14(11-4-3-5-13(11)19-20)9-18-16(21)12-8-10(17)6-7-15(12)22-2/h6-8H,3-5,9H2,1-2H3,(H,18,21)
InChIKeyBWODCGYACAZUAG-UHFFFAOYSA-N
MW319.79 g/mol
LogP2.50
Rot. Bonds4

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

5-chloro-2-methoxy-N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]benzamide (PubChem CID 91819365) has the molecular formula C16H18ClN3O2 and a molecular weight of 319.79 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]benzamide
PubChem CID91819365
Molecular FormulaC16H18ClN3O2
Molecular Weight319.79 g/mol
Exact Mass319.11
IUPAC Name5-chloro-2-methoxy-N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCc1c2c(nn1C)CCC2
InChIInChI=1S/C16H18ClN3O2/c1-20-14(11-4-3-5-13(11)19-20)9-18-16(21)12-8-10(17)6-7-15(12)22-2/h6-8H,3-5,9H2,1-2H3,(H,18,21)
InChIKeyBWODCGYACAZUAG-UHFFFAOYSA-N
XLogP2.50
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 2671578
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5-chloro-N-[[3-(chloromethyl)phenyl]methyl]-2-methoxybenzamide
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5-chloro-N-(cyclohexylmethyl)-2-methoxybenzamide
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5-chloro-2-methoxy-N-[2-(propan-2-ylamino)ethyl]benzamide
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5-chloro-2-methoxy-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide
CID 18126602
5-chloro-2-methoxy-N-[(4-propan-2-ylphenyl)methyl]benzamide
CID 71822169
5-chloro-N-(4-chloro-2-methylbutyl)-2-methoxybenzamide
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5-chloro-N'-(5-chloro-2-methoxybenzoyl)-2-methoxybenzohydrazide
CID 7922079
5-chloro-N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-2-methoxybenzamide
CID 91967691
5-chloro-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-2-methoxybenzamide
CID 122252893
5-chloro-N-[2-(2,2-dimethylpropanoylamino)ethyl]-2-methoxybenzamide
CID 108540892

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]benzamide?
The IUPAC name of 5-chloro-2-methoxy-N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]benzamide (CID 91819365) is 5-chloro-2-methoxy-N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]benzamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]benzamide?
The canonical SMILES for 5-chloro-2-methoxy-N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]benzamide is COc1ccc(Cl)cc1C(=O)NCc1c2c(nn1C)CCC2.
What is the InChIKey of 5-chloro-2-methoxy-N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]benzamide?
The InChIKey is BWODCGYACAZUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O2/c1-20-14(11-4-3-5-13(11)19-20)9-18-16(21)12-8-10(17)6-7-15(12)22-2/h6-8H,3-5,9H2,1-2H3,(H,18,21).
What are the key properties of 5-chloro-2-methoxy-N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]benzamide?
5-chloro-2-methoxy-N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]benzamide has a molecular weight of 319.79 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]benzamide is sourced from PubChem (CID 91819365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).