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

C19H25F4N3O — CID 172633731

IUPACN-[4-cyclobutyl-3-(cyclobutylmethyl)-1-methylpyrazol-5-yl]-2-[(1R)-2,2,3,3-tetrafluorocyclobutyl]acetamide
SMILESCn1nc(CC2CCC2)c(C2CCC2)c1NC(=O)C[C@@H]1CC(F)(F)C1(F)F
InChIInChI=1S/C19H25F4N3O/c1-26-17(24-15(27)9-13-10-18(20,21)19(13,22)23)16(12-6-3-7-12)14(25-26)8-11-4-2-5-11/h11-13H,2-10H2,1H3,(H,24,27)/t13-/m1/s1
InChIKeyJDQKJTRYZCUADY-CYBMUJFWSA-N
MW387.42 g/mol
LogP4.65
Rot. Bonds6

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

N-[4-cyclobutyl-3-(cyclobutylmethyl)-1-methylpyrazol-5-yl]-2-[(1R)-2,2,3,3-tetrafluorocyclobutyl]acetamide (PubChem CID 172633731) has the molecular formula C19H25F4N3O and a molecular weight of 387.42 g/mol. Its IUPAC name is N-[4-cyclobutyl-3-(cyclobutylmethyl)-1-methylpyrazol-5-yl]-2-[(1R)-2,2,3,3-tetrafluorocyclobutyl]acetamide.

Molecular Properties

Compound NameN-[4-cyclobutyl-3-(cyclobutylmethyl)-1-methylpyrazol-5-yl]-2-[(1R)-2,2,3,3-tetrafluorocyclobutyl]acetamide
PubChem CID172633731
Molecular FormulaC19H25F4N3O
Molecular Weight387.42 g/mol
Exact Mass387.19
IUPAC NameN-[4-cyclobutyl-3-(cyclobutylmethyl)-1-methylpyrazol-5-yl]-2-[(1R)-2,2,3,3-tetrafluorocyclobutyl]acetamide
SMILESCn1nc(CC2CCC2)c(C2CCC2)c1NC(=O)C[C@@H]1CC(F)(F)C1(F)F
InChIInChI=1S/C19H25F4N3O/c1-26-17(24-15(27)9-13-10-18(20,21)19(13,22)23)16(12-6-3-7-12)14(25-26)8-11-4-2-5-11/h11-13H,2-10H2,1H3,(H,24,27)/t13-/m1/s1
InChIKeyJDQKJTRYZCUADY-CYBMUJFWSA-N
XLogP4.65
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 54.65
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-(cyclobutylmethyl)-1-methylpyrazol-5-yl]-2-[(1R)-2,2,3,3-tetrafluorocyclobutyl]acetamide?
The IUPAC name of N-[4-cyclobutyl-3-(cyclobutylmethyl)-1-methylpyrazol-5-yl]-2-[(1R)-2,2,3,3-tetrafluorocyclobutyl]acetamide (CID 172633731) is N-[4-cyclobutyl-3-(cyclobutylmethyl)-1-methylpyrazol-5-yl]-2-[(1R)-2,2,3,3-tetrafluorocyclobutyl]acetamide.
What is the SMILES notation for N-[4-cyclobutyl-3-(cyclobutylmethyl)-1-methylpyrazol-5-yl]-2-[(1R)-2,2,3,3-tetrafluorocyclobutyl]acetamide?
The canonical SMILES for N-[4-cyclobutyl-3-(cyclobutylmethyl)-1-methylpyrazol-5-yl]-2-[(1R)-2,2,3,3-tetrafluorocyclobutyl]acetamide is Cn1nc(CC2CCC2)c(C2CCC2)c1NC(=O)C[C@@H]1CC(F)(F)C1(F)F.
What is the InChIKey of N-[4-cyclobutyl-3-(cyclobutylmethyl)-1-methylpyrazol-5-yl]-2-[(1R)-2,2,3,3-tetrafluorocyclobutyl]acetamide?
The InChIKey is JDQKJTRYZCUADY-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H25F4N3O/c1-26-17(24-15(27)9-13-10-18(20,21)19(13,22)23)16(12-6-3-7-12)14(25-26)8-11-4-2-5-11/h11-13H,2-10H2,1H3,(H,24,27)/t13-/m1/s1.
What are the key properties of N-[4-cyclobutyl-3-(cyclobutylmethyl)-1-methylpyrazol-5-yl]-2-[(1R)-2,2,3,3-tetrafluorocyclobutyl]acetamide?
N-[4-cyclobutyl-3-(cyclobutylmethyl)-1-methylpyrazol-5-yl]-2-[(1R)-2,2,3,3-tetrafluorocyclobutyl]acetamide has a molecular weight of 387.42 g/mol, XLogP of 4.65, 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-(cyclobutylmethyl)-1-methylpyrazol-5-yl]-2-[(1R)-2,2,3,3-tetrafluorocyclobutyl]acetamide is sourced from PubChem (CID 172633731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).