N-[5-(3,3-difluorocyclobutyl)-2-(2-hydroxy-2-methylpropyl)-4-methylpyrazol-3-yl]-3,3-difluorocyclobutane-1-carboxamide

C17H23F4N3O2 — CID 169169288

IUPACN-[5-(3,3-difluorocyclobutyl)-2-(2-hydroxy-2-methylpropyl)-4-methylpyrazol-3-yl]-3,3-difluorocyclobutane-1-carboxamide
SMILESCc1c(C2CC(F)(F)C2)nn(CC(C)(C)O)c1NC(=O)C1CC(F)(F)C1
InChIInChI=1S/C17H23F4N3O2/c1-9-12(10-4-16(18,19)5-10)23-24(8-15(2,3)26)13(9)22-14(25)11-6-17(20,21)7-11/h10-11,26H,4-8H2,1-3H3,(H,22,25)
InChIKeyWJLWVUXWQPRSGJ-UHFFFAOYSA-N
MW377.38 g/mol
LogP3.46
Rot. Bonds5

About N-[5-(3,3-difluorocyclobutyl)-2-(2-hydroxy-2-methylpropyl)-4-methylpyrazol-3-yl]-3,3-difluorocyclobutane-1-carboxamide

N-[5-(3,3-difluorocyclobutyl)-2-(2-hydroxy-2-methylpropyl)-4-methylpyrazol-3-yl]-3,3-difluorocyclobutane-1-carboxamide (PubChem CID 169169288) has the molecular formula C17H23F4N3O2 and a molecular weight of 377.38 g/mol. Its IUPAC name is N-[5-(3,3-difluorocyclobutyl)-2-(2-hydroxy-2-methylpropyl)-4-methylpyrazol-3-yl]-3,3-difluorocyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[5-(3,3-difluorocyclobutyl)-2-(2-hydroxy-2-methylpropyl)-4-methylpyrazol-3-yl]-3,3-difluorocyclobutane-1-carboxamide
PubChem CID169169288
Molecular FormulaC17H23F4N3O2
Molecular Weight377.38 g/mol
Exact Mass377.17
IUPAC NameN-[5-(3,3-difluorocyclobutyl)-2-(2-hydroxy-2-methylpropyl)-4-methylpyrazol-3-yl]-3,3-difluorocyclobutane-1-carboxamide
SMILESCc1c(C2CC(F)(F)C2)nn(CC(C)(C)O)c1NC(=O)C1CC(F)(F)C1
InChIInChI=1S/C17H23F4N3O2/c1-9-12(10-4-16(18,19)5-10)23-24(8-15(2,3)26)13(9)22-14(25)11-6-17(20,21)7-11/h10-11,26H,4-8H2,1-3H3,(H,22,25)
InChIKeyWJLWVUXWQPRSGJ-UHFFFAOYSA-N
XLogP3.46
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.38
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(3,3-difluorocyclobutyl)-2-(2-hydroxy-2-methylpropyl)-4-methylpyrazol-3-yl]-3,3-difluorocyclobutane-1-carboxamide?
The IUPAC name of N-[5-(3,3-difluorocyclobutyl)-2-(2-hydroxy-2-methylpropyl)-4-methylpyrazol-3-yl]-3,3-difluorocyclobutane-1-carboxamide (CID 169169288) is N-[5-(3,3-difluorocyclobutyl)-2-(2-hydroxy-2-methylpropyl)-4-methylpyrazol-3-yl]-3,3-difluorocyclobutane-1-carboxamide.
What is the SMILES notation for N-[5-(3,3-difluorocyclobutyl)-2-(2-hydroxy-2-methylpropyl)-4-methylpyrazol-3-yl]-3,3-difluorocyclobutane-1-carboxamide?
The canonical SMILES for N-[5-(3,3-difluorocyclobutyl)-2-(2-hydroxy-2-methylpropyl)-4-methylpyrazol-3-yl]-3,3-difluorocyclobutane-1-carboxamide is Cc1c(C2CC(F)(F)C2)nn(CC(C)(C)O)c1NC(=O)C1CC(F)(F)C1.
What is the InChIKey of N-[5-(3,3-difluorocyclobutyl)-2-(2-hydroxy-2-methylpropyl)-4-methylpyrazol-3-yl]-3,3-difluorocyclobutane-1-carboxamide?
The InChIKey is WJLWVUXWQPRSGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F4N3O2/c1-9-12(10-4-16(18,19)5-10)23-24(8-15(2,3)26)13(9)22-14(25)11-6-17(20,21)7-11/h10-11,26H,4-8H2,1-3H3,(H,22,25).
What are the key properties of N-[5-(3,3-difluorocyclobutyl)-2-(2-hydroxy-2-methylpropyl)-4-methylpyrazol-3-yl]-3,3-difluorocyclobutane-1-carboxamide?
N-[5-(3,3-difluorocyclobutyl)-2-(2-hydroxy-2-methylpropyl)-4-methylpyrazol-3-yl]-3,3-difluorocyclobutane-1-carboxamide has a molecular weight of 377.38 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,3-difluorocyclobutyl)-2-(2-hydroxy-2-methylpropyl)-4-methylpyrazol-3-yl]-3,3-difluorocyclobutane-1-carboxamide is sourced from PubChem (CID 169169288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).