N-[2-cyclopropyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]-2-[1-(trifluoromethyl)cyclopropyl]acetamide

C17H20F5N3O — CID 169169328

IUPACN-[2-cyclopropyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]-2-[1-(trifluoromethyl)cyclopropyl]acetamide
SMILESCc1c(C2CC(F)(F)C2)nn(C2CC2)c1NC(=O)CC1(C(F)(F)F)CC1
InChIInChI=1S/C17H20F5N3O/c1-9-13(10-6-16(18,19)7-10)24-25(11-2-3-11)14(9)23-12(26)8-15(4-5-15)17(20,21)22/h10-11H,2-8H2,1H3,(H,23,26)
InChIKeyMFFODSYDQKKCMY-UHFFFAOYSA-N
MW377.36 g/mol
LogP4.71
Rot. Bonds5

About N-[2-cyclopropyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]-2-[1-(trifluoromethyl)cyclopropyl]acetamide

N-[2-cyclopropyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]-2-[1-(trifluoromethyl)cyclopropyl]acetamide (PubChem CID 169169328) has the molecular formula C17H20F5N3O and a molecular weight of 377.36 g/mol. Its IUPAC name is N-[2-cyclopropyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]-2-[1-(trifluoromethyl)cyclopropyl]acetamide.

Molecular Properties

Compound NameN-[2-cyclopropyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]-2-[1-(trifluoromethyl)cyclopropyl]acetamide
PubChem CID169169328
Molecular FormulaC17H20F5N3O
Molecular Weight377.36 g/mol
Exact Mass377.15
IUPAC NameN-[2-cyclopropyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]-2-[1-(trifluoromethyl)cyclopropyl]acetamide
SMILESCc1c(C2CC(F)(F)C2)nn(C2CC2)c1NC(=O)CC1(C(F)(F)F)CC1
InChIInChI=1S/C17H20F5N3O/c1-9-13(10-6-16(18,19)7-10)24-25(11-2-3-11)14(9)23-12(26)8-15(4-5-15)17(20,21)22/h10-11H,2-8H2,1H3,(H,23,26)
InChIKeyMFFODSYDQKKCMY-UHFFFAOYSA-N
XLogP4.71
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.36
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-cyclopropyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]-2-[1-(trifluoromethyl)cyclopropyl]acetamide?
The IUPAC name of N-[2-cyclopropyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]-2-[1-(trifluoromethyl)cyclopropyl]acetamide (CID 169169328) is N-[2-cyclopropyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]-2-[1-(trifluoromethyl)cyclopropyl]acetamide.
What is the SMILES notation for N-[2-cyclopropyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]-2-[1-(trifluoromethyl)cyclopropyl]acetamide?
The canonical SMILES for N-[2-cyclopropyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]-2-[1-(trifluoromethyl)cyclopropyl]acetamide is Cc1c(C2CC(F)(F)C2)nn(C2CC2)c1NC(=O)CC1(C(F)(F)F)CC1.
What is the InChIKey of N-[2-cyclopropyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]-2-[1-(trifluoromethyl)cyclopropyl]acetamide?
The InChIKey is MFFODSYDQKKCMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F5N3O/c1-9-13(10-6-16(18,19)7-10)24-25(11-2-3-11)14(9)23-12(26)8-15(4-5-15)17(20,21)22/h10-11H,2-8H2,1H3,(H,23,26).
What are the key properties of N-[2-cyclopropyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]-2-[1-(trifluoromethyl)cyclopropyl]acetamide?
N-[2-cyclopropyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]-2-[1-(trifluoromethyl)cyclopropyl]acetamide has a molecular weight of 377.36 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclopropyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]-2-[1-(trifluoromethyl)cyclopropyl]acetamide is sourced from PubChem (CID 169169328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).