N-[5-propyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]cyclobutanecarboxamide

C18H20F3N3O — CID 42686576

IUPACN-[5-propyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]cyclobutanecarboxamide
SMILESCCCc1[nH]nc(-c2ccc(C(F)(F)F)cc2)c1NC(=O)C1CCC1
InChIInChI=1S/C18H20F3N3O/c1-2-4-14-16(22-17(25)12-5-3-6-12)15(24-23-14)11-7-9-13(10-8-11)18(19,20)21/h7-10,12H,2-6H2,1H3,(H,22,25)(H,23,24)
InChIKeyBCYDOETZOGPCEB-UHFFFAOYSA-N
MW351.37 g/mol
LogP4.79
Rot. Bonds5

About N-[5-propyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]cyclobutanecarboxamide

N-[5-propyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]cyclobutanecarboxamide (PubChem CID 42686576) has the molecular formula C18H20F3N3O and a molecular weight of 351.37 g/mol. Its IUPAC name is N-[5-propyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[5-propyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]cyclobutanecarboxamide
PubChem CID42686576
Molecular FormulaC18H20F3N3O
Molecular Weight351.37 g/mol
Exact Mass351.16
IUPAC NameN-[5-propyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]cyclobutanecarboxamide
SMILESCCCc1[nH]nc(-c2ccc(C(F)(F)F)cc2)c1NC(=O)C1CCC1
InChIInChI=1S/C18H20F3N3O/c1-2-4-14-16(22-17(25)12-5-3-6-12)15(24-23-14)11-7-9-13(10-8-11)18(19,20)21/h7-10,12H,2-6H2,1H3,(H,22,25)(H,23,24)
InChIKeyBCYDOETZOGPCEB-UHFFFAOYSA-N
XLogP4.79
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[5-propyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]cyclobutanecarboxamide?
The IUPAC name of N-[5-propyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]cyclobutanecarboxamide (CID 42686576) is N-[5-propyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[5-propyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[5-propyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]cyclobutanecarboxamide is CCCc1[nH]nc(-c2ccc(C(F)(F)F)cc2)c1NC(=O)C1CCC1.
What is the InChIKey of N-[5-propyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]cyclobutanecarboxamide?
The InChIKey is BCYDOETZOGPCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3O/c1-2-4-14-16(22-17(25)12-5-3-6-12)15(24-23-14)11-7-9-13(10-8-11)18(19,20)21/h7-10,12H,2-6H2,1H3,(H,22,25)(H,23,24).
What are the key properties of N-[5-propyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]cyclobutanecarboxamide?
N-[5-propyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]cyclobutanecarboxamide has a molecular weight of 351.37 g/mol, XLogP of 4.79, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-propyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]cyclobutanecarboxamide is sourced from PubChem (CID 42686576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).