2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]acetamide

C15H17ClF2N6O3 — CID 19283176

IUPAC2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]acetamide
SMILESCc1cc([N+](=O)[O-])nn1CCNC(=O)Cn1nc(C(F)F)c(Cl)c1C1CC1
InChIInChI=1S/C15H17ClF2N6O3/c1-8-6-10(24(26)27)20-22(8)5-4-19-11(25)7-23-14(9-2-3-9)12(16)13(21-23)15(17)18/h6,9,15H,2-5,7H2,1H3,(H,19,25)
InChIKeyPEIDPHXWLQBEGB-UHFFFAOYSA-N
MW402.79 g/mol
LogP2.58
Rot. Bonds8

About 2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]acetamide

2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]acetamide (PubChem CID 19283176) has the molecular formula C15H17ClF2N6O3 and a molecular weight of 402.79 g/mol. Its IUPAC name is 2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]acetamide
PubChem CID19283176
Molecular FormulaC15H17ClF2N6O3
Molecular Weight402.79 g/mol
Exact Mass402.10
IUPAC Name2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]acetamide
SMILESCc1cc([N+](=O)[O-])nn1CCNC(=O)Cn1nc(C(F)F)c(Cl)c1C1CC1
InChIInChI=1S/C15H17ClF2N6O3/c1-8-6-10(24(26)27)20-22(8)5-4-19-11(25)7-23-14(9-2-3-9)12(16)13(21-23)15(17)18/h6,9,15H,2-5,7H2,1H3,(H,19,25)
InChIKeyPEIDPHXWLQBEGB-UHFFFAOYSA-N
XLogP2.58
TPSA107.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.79
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]acetamide?
The IUPAC name of 2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]acetamide (CID 19283176) is 2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]acetamide?
The canonical SMILES for 2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]acetamide is Cc1cc([N+](=O)[O-])nn1CCNC(=O)Cn1nc(C(F)F)c(Cl)c1C1CC1.
What is the InChIKey of 2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]acetamide?
The InChIKey is PEIDPHXWLQBEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClF2N6O3/c1-8-6-10(24(26)27)20-22(8)5-4-19-11(25)7-23-14(9-2-3-9)12(16)13(21-23)15(17)18/h6,9,15H,2-5,7H2,1H3,(H,19,25).
What are the key properties of 2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]acetamide?
2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]acetamide has a molecular weight of 402.79 g/mol, XLogP of 2.58, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]acetamide is sourced from PubChem (CID 19283176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).