N-[4-cyclobutyl-3-(cyclopropylmethyl)-1-methylpyrazol-5-yl]-2-[(1R)-2,2,3,3-tetrafluorocyclobutyl]acetamide

C18H23F4N3O — CID 172633724

IUPACN-[4-cyclobutyl-3-(cyclopropylmethyl)-1-methylpyrazol-5-yl]-2-[(1R)-2,2,3,3-tetrafluorocyclobutyl]acetamide
SMILESCn1nc(CC2CC2)c(C2CCC2)c1NC(=O)C[C@@H]1CC(F)(F)C1(F)F
InChIInChI=1S/C18H23F4N3O/c1-25-16(23-14(26)8-12-9-17(19,20)18(12,21)22)15(11-3-2-4-11)13(24-25)7-10-5-6-10/h10-12H,2-9H2,1H3,(H,23,26)/t12-/m1/s1
InChIKeyPKAXBZXYDYXGJX-GFCCVEGCSA-N
MW373.39 g/mol
LogP4.26
Rot. Bonds6

About N-[4-cyclobutyl-3-(cyclopropylmethyl)-1-methylpyrazol-5-yl]-2-[(1R)-2,2,3,3-tetrafluorocyclobutyl]acetamide

N-[4-cyclobutyl-3-(cyclopropylmethyl)-1-methylpyrazol-5-yl]-2-[(1R)-2,2,3,3-tetrafluorocyclobutyl]acetamide (PubChem CID 172633724) has the molecular formula C18H23F4N3O and a molecular weight of 373.39 g/mol. Its IUPAC name is N-[4-cyclobutyl-3-(cyclopropylmethyl)-1-methylpyrazol-5-yl]-2-[(1R)-2,2,3,3-tetrafluorocyclobutyl]acetamide.

Molecular Properties

Compound NameN-[4-cyclobutyl-3-(cyclopropylmethyl)-1-methylpyrazol-5-yl]-2-[(1R)-2,2,3,3-tetrafluorocyclobutyl]acetamide
PubChem CID172633724
Molecular FormulaC18H23F4N3O
Molecular Weight373.39 g/mol
Exact Mass373.18
IUPAC NameN-[4-cyclobutyl-3-(cyclopropylmethyl)-1-methylpyrazol-5-yl]-2-[(1R)-2,2,3,3-tetrafluorocyclobutyl]acetamide
SMILESCn1nc(CC2CC2)c(C2CCC2)c1NC(=O)C[C@@H]1CC(F)(F)C1(F)F
InChIInChI=1S/C18H23F4N3O/c1-25-16(23-14(26)8-12-9-17(19,20)18(12,21)22)15(11-3-2-4-11)13(24-25)7-10-5-6-10/h10-12H,2-9H2,1H3,(H,23,26)/t12-/m1/s1
InChIKeyPKAXBZXYDYXGJX-GFCCVEGCSA-N
XLogP4.26
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.39
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-cyclobutyl-3-(cyclopropylmethyl)-1-methylpyrazol-5-yl]-2-[(1R)-2,2,3,3-tetrafluorocyclobutyl]acetamide?
The IUPAC name of N-[4-cyclobutyl-3-(cyclopropylmethyl)-1-methylpyrazol-5-yl]-2-[(1R)-2,2,3,3-tetrafluorocyclobutyl]acetamide (CID 172633724) is N-[4-cyclobutyl-3-(cyclopropylmethyl)-1-methylpyrazol-5-yl]-2-[(1R)-2,2,3,3-tetrafluorocyclobutyl]acetamide.
What is the SMILES notation for N-[4-cyclobutyl-3-(cyclopropylmethyl)-1-methylpyrazol-5-yl]-2-[(1R)-2,2,3,3-tetrafluorocyclobutyl]acetamide?
The canonical SMILES for N-[4-cyclobutyl-3-(cyclopropylmethyl)-1-methylpyrazol-5-yl]-2-[(1R)-2,2,3,3-tetrafluorocyclobutyl]acetamide is Cn1nc(CC2CC2)c(C2CCC2)c1NC(=O)C[C@@H]1CC(F)(F)C1(F)F.
What is the InChIKey of N-[4-cyclobutyl-3-(cyclopropylmethyl)-1-methylpyrazol-5-yl]-2-[(1R)-2,2,3,3-tetrafluorocyclobutyl]acetamide?
The InChIKey is PKAXBZXYDYXGJX-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H23F4N3O/c1-25-16(23-14(26)8-12-9-17(19,20)18(12,21)22)15(11-3-2-4-11)13(24-25)7-10-5-6-10/h10-12H,2-9H2,1H3,(H,23,26)/t12-/m1/s1.
What are the key properties of N-[4-cyclobutyl-3-(cyclopropylmethyl)-1-methylpyrazol-5-yl]-2-[(1R)-2,2,3,3-tetrafluorocyclobutyl]acetamide?
N-[4-cyclobutyl-3-(cyclopropylmethyl)-1-methylpyrazol-5-yl]-2-[(1R)-2,2,3,3-tetrafluorocyclobutyl]acetamide has a molecular weight of 373.39 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-cyclobutyl-3-(cyclopropylmethyl)-1-methylpyrazol-5-yl]-2-[(1R)-2,2,3,3-tetrafluorocyclobutyl]acetamide is sourced from PubChem (CID 172633724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).