N-cyclopentyl-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide

C12H17F2N3O — CID 841522

IUPACN-cyclopentyl-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide
SMILESCc1cc(C(F)F)nn1CC(=O)NC1CCCC1
InChIInChI=1S/C12H17F2N3O/c1-8-6-10(12(13)14)16-17(8)7-11(18)15-9-4-2-3-5-9/h6,9,12H,2-5,7H2,1H3,(H,15,18)
InChIKeyMGNRHADYYVKVPL-UHFFFAOYSA-N
MW257.28 g/mol
LogP2.19
Rot. Bonds4

About N-cyclopentyl-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide

N-cyclopentyl-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide (PubChem CID 841522) has the molecular formula C12H17F2N3O and a molecular weight of 257.28 g/mol. Its IUPAC name is N-cyclopentyl-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide
PubChem CID841522
Molecular FormulaC12H17F2N3O
Molecular Weight257.28 g/mol
Exact Mass257.13
IUPAC NameN-cyclopentyl-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide
SMILESCc1cc(C(F)F)nn1CC(=O)NC1CCCC1
InChIInChI=1S/C12H17F2N3O/c1-8-6-10(12(13)14)16-17(8)7-11(18)15-9-4-2-3-5-9/h6,9,12H,2-5,7H2,1H3,(H,15,18)
InChIKeyMGNRHADYYVKVPL-UHFFFAOYSA-N
XLogP2.19
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.28
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide?
The IUPAC name of N-cyclopentyl-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide (CID 841522) is N-cyclopentyl-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide?
The canonical SMILES for N-cyclopentyl-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide is Cc1cc(C(F)F)nn1CC(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide?
The InChIKey is MGNRHADYYVKVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N3O/c1-8-6-10(12(13)14)16-17(8)7-11(18)15-9-4-2-3-5-9/h6,9,12H,2-5,7H2,1H3,(H,15,18).
What are the key properties of N-cyclopentyl-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide?
N-cyclopentyl-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide has a molecular weight of 257.28 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide is sourced from PubChem (CID 841522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).