N-[2-cyclobutyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]-3-hydroxy-3-methylbutanamide

C17H25F2N3O2 — CID 170136341

IUPACN-[2-cyclobutyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]-3-hydroxy-3-methylbutanamide
SMILESCc1c(C2CC(F)(F)C2)nn(C2CCC2)c1NC(=O)CC(C)(C)O
InChIInChI=1S/C17H25F2N3O2/c1-10-14(11-7-17(18,19)8-11)21-22(12-5-4-6-12)15(10)20-13(23)9-16(2,3)24/h11-12,24H,4-9H2,1-3H3,(H,20,23)
InChIKeySXKXZFYHMLBZDB-UHFFFAOYSA-N
MW341.40 g/mol
LogP3.53
Rot. Bonds5

About N-[2-cyclobutyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]-3-hydroxy-3-methylbutanamide

N-[2-cyclobutyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]-3-hydroxy-3-methylbutanamide (PubChem CID 170136341) has the molecular formula C17H25F2N3O2 and a molecular weight of 341.40 g/mol. Its IUPAC name is N-[2-cyclobutyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]-3-hydroxy-3-methylbutanamide.

Molecular Properties

Compound NameN-[2-cyclobutyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]-3-hydroxy-3-methylbutanamide
PubChem CID170136341
Molecular FormulaC17H25F2N3O2
Molecular Weight341.40 g/mol
Exact Mass341.19
IUPAC NameN-[2-cyclobutyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]-3-hydroxy-3-methylbutanamide
SMILESCc1c(C2CC(F)(F)C2)nn(C2CCC2)c1NC(=O)CC(C)(C)O
InChIInChI=1S/C17H25F2N3O2/c1-10-14(11-7-17(18,19)8-11)21-22(12-5-4-6-12)15(10)20-13(23)9-16(2,3)24/h11-12,24H,4-9H2,1-3H3,(H,20,23)
InChIKeySXKXZFYHMLBZDB-UHFFFAOYSA-N
XLogP3.53
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.40
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-cyclobutyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]-3-hydroxy-3-methylbutanamide?
The IUPAC name of N-[2-cyclobutyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]-3-hydroxy-3-methylbutanamide (CID 170136341) is N-[2-cyclobutyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]-3-hydroxy-3-methylbutanamide.
What is the SMILES notation for N-[2-cyclobutyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]-3-hydroxy-3-methylbutanamide?
The canonical SMILES for N-[2-cyclobutyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]-3-hydroxy-3-methylbutanamide is Cc1c(C2CC(F)(F)C2)nn(C2CCC2)c1NC(=O)CC(C)(C)O.
What is the InChIKey of N-[2-cyclobutyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]-3-hydroxy-3-methylbutanamide?
The InChIKey is SXKXZFYHMLBZDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F2N3O2/c1-10-14(11-7-17(18,19)8-11)21-22(12-5-4-6-12)15(10)20-13(23)9-16(2,3)24/h11-12,24H,4-9H2,1-3H3,(H,20,23).
What are the key properties of N-[2-cyclobutyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]-3-hydroxy-3-methylbutanamide?
N-[2-cyclobutyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]-3-hydroxy-3-methylbutanamide has a molecular weight of 341.40 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclobutyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]-3-hydroxy-3-methylbutanamide is sourced from PubChem (CID 170136341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).