N-cyclopentyl-N-cyclopropyl-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide

C16H23F2N3O — CID 75479981

IUPACN-cyclopentyl-N-cyclopropyl-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide
SMILESCc1nn(C(F)F)c(C)c1CC(=O)N(C1CCCC1)C1CC1
InChIInChI=1S/C16H23F2N3O/c1-10-14(11(2)21(19-10)16(17)18)9-15(22)20(13-7-8-13)12-5-3-4-6-12/h12-13,16H,3-9H2,1-2H3
InChIKeyALEQRQZZNILLLQ-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.37
Rot. Bonds5

About N-cyclopentyl-N-cyclopropyl-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide

N-cyclopentyl-N-cyclopropyl-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide (PubChem CID 75479981) has the molecular formula C16H23F2N3O and a molecular weight of 311.38 g/mol. Its IUPAC name is N-cyclopentyl-N-cyclopropyl-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-N-cyclopropyl-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide
PubChem CID75479981
Molecular FormulaC16H23F2N3O
Molecular Weight311.38 g/mol
Exact Mass311.18
IUPAC NameN-cyclopentyl-N-cyclopropyl-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide
SMILESCc1nn(C(F)F)c(C)c1CC(=O)N(C1CCCC1)C1CC1
InChIInChI=1S/C16H23F2N3O/c1-10-14(11(2)21(19-10)16(17)18)9-15(22)20(13-7-8-13)12-5-3-4-6-12/h12-13,16H,3-9H2,1-2H3
InChIKeyALEQRQZZNILLLQ-UHFFFAOYSA-N
XLogP3.37
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-cyclopropyl-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide?
The IUPAC name of N-cyclopentyl-N-cyclopropyl-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide (CID 75479981) is N-cyclopentyl-N-cyclopropyl-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide.
What is the SMILES notation for N-cyclopentyl-N-cyclopropyl-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide?
The canonical SMILES for N-cyclopentyl-N-cyclopropyl-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide is Cc1nn(C(F)F)c(C)c1CC(=O)N(C1CCCC1)C1CC1.
What is the InChIKey of N-cyclopentyl-N-cyclopropyl-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide?
The InChIKey is ALEQRQZZNILLLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N3O/c1-10-14(11(2)21(19-10)16(17)18)9-15(22)20(13-7-8-13)12-5-3-4-6-12/h12-13,16H,3-9H2,1-2H3.
What are the key properties of N-cyclopentyl-N-cyclopropyl-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide?
N-cyclopentyl-N-cyclopropyl-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide has a molecular weight of 311.38 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-cyclopropyl-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide is sourced from PubChem (CID 75479981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).