2-chloro-N-cyclopentyl-N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-6-fluorobenzamide

C20H23ClFN3O — CID 86266479

IUPAC2-chloro-N-cyclopentyl-N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-6-fluorobenzamide
SMILESCn1nc(CN(C(=O)c2c(F)cccc2Cl)C2CCCC2)cc1C1CC1
InChIInChI=1S/C20H23ClFN3O/c1-24-18(13-9-10-13)11-14(23-24)12-25(15-5-2-3-6-15)20(26)19-16(21)7-4-8-17(19)22/h4,7-8,11,13,15H,2-3,5-6,9-10,12H2,1H3
InChIKeyOCMGTELGROOBKQ-UHFFFAOYSA-N
MW375.88 g/mol
LogP4.68
Rot. Bonds5

About 2-chloro-N-cyclopentyl-N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-6-fluorobenzamide

2-chloro-N-cyclopentyl-N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-6-fluorobenzamide (PubChem CID 86266479) has the molecular formula C20H23ClFN3O and a molecular weight of 375.88 g/mol. Its IUPAC name is 2-chloro-N-cyclopentyl-N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-6-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-cyclopentyl-N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-6-fluorobenzamide
PubChem CID86266479
Molecular FormulaC20H23ClFN3O
Molecular Weight375.88 g/mol
Exact Mass375.15
IUPAC Name2-chloro-N-cyclopentyl-N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-6-fluorobenzamide
SMILESCn1nc(CN(C(=O)c2c(F)cccc2Cl)C2CCCC2)cc1C1CC1
InChIInChI=1S/C20H23ClFN3O/c1-24-18(13-9-10-13)11-14(23-24)12-25(15-5-2-3-6-15)20(26)19-16(21)7-4-8-17(19)22/h4,7-8,11,13,15H,2-3,5-6,9-10,12H2,1H3
InChIKeyOCMGTELGROOBKQ-UHFFFAOYSA-N
XLogP4.68
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.88
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclopentyl-N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-6-fluorobenzamide?
The IUPAC name of 2-chloro-N-cyclopentyl-N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-6-fluorobenzamide (CID 86266479) is 2-chloro-N-cyclopentyl-N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-6-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-cyclopentyl-N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-6-fluorobenzamide?
The canonical SMILES for 2-chloro-N-cyclopentyl-N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-6-fluorobenzamide is Cn1nc(CN(C(=O)c2c(F)cccc2Cl)C2CCCC2)cc1C1CC1.
What is the InChIKey of 2-chloro-N-cyclopentyl-N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-6-fluorobenzamide?
The InChIKey is OCMGTELGROOBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClFN3O/c1-24-18(13-9-10-13)11-14(23-24)12-25(15-5-2-3-6-15)20(26)19-16(21)7-4-8-17(19)22/h4,7-8,11,13,15H,2-3,5-6,9-10,12H2,1H3.
What are the key properties of 2-chloro-N-cyclopentyl-N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-6-fluorobenzamide?
2-chloro-N-cyclopentyl-N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-6-fluorobenzamide has a molecular weight of 375.88 g/mol, XLogP of 4.68, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclopentyl-N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-6-fluorobenzamide is sourced from PubChem (CID 86266479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).