2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide

C16H20ClF3N4O2 — CID 4768388

IUPAC2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
SMILESO=C(Cn1nc(C(F)(F)F)c(Cl)c1C1CC1)NCCCN1CCCC1=O
InChIInChI=1S/C16H20ClF3N4O2/c17-13-14(10-4-5-10)24(22-15(13)16(18,19)20)9-11(25)21-6-2-8-23-7-1-3-12(23)26/h10H,1-9H2,(H,21,25)
InChIKeyJVMDDNGDEBHADR-UHFFFAOYSA-N
MW392.81 g/mol
LogP2.56
Rot. Bonds7

About 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide

2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide (PubChem CID 4768388) has the molecular formula C16H20ClF3N4O2 and a molecular weight of 392.81 g/mol. Its IUPAC name is 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
PubChem CID4768388
Molecular FormulaC16H20ClF3N4O2
Molecular Weight392.81 g/mol
Exact Mass392.12
IUPAC Name2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
SMILESO=C(Cn1nc(C(F)(F)F)c(Cl)c1C1CC1)NCCCN1CCCC1=O
InChIInChI=1S/C16H20ClF3N4O2/c17-13-14(10-4-5-10)24(22-15(13)16(18,19)20)9-11(25)21-6-2-8-23-7-1-3-12(23)26/h10H,1-9H2,(H,21,25)
InChIKeyJVMDDNGDEBHADR-UHFFFAOYSA-N
XLogP2.56
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.81
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
The IUPAC name of 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide (CID 4768388) is 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide.
What is the SMILES notation for 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
The canonical SMILES for 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide is O=C(Cn1nc(C(F)(F)F)c(Cl)c1C1CC1)NCCCN1CCCC1=O.
What is the InChIKey of 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
The InChIKey is JVMDDNGDEBHADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClF3N4O2/c17-13-14(10-4-5-10)24(22-15(13)16(18,19)20)9-11(25)21-6-2-8-23-7-1-3-12(23)26/h10H,1-9H2,(H,21,25).
What are the key properties of 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide has a molecular weight of 392.81 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide is sourced from PubChem (CID 4768388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).