1-[3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]cyclobutane-1-carboxamide

C15H14F3N3O — CID 162773616

IUPAC1-[3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]cyclobutane-1-carboxamide
SMILESNC(=O)C1(c2cc(-c3ccc(C(F)(F)F)cc3)n[nH]2)CCC1
InChIInChI=1S/C15H14F3N3O/c16-15(17,18)10-4-2-9(3-5-10)11-8-12(21-20-11)14(13(19)22)6-1-7-14/h2-5,8H,1,6-7H2,(H2,19,22)(H,20,21)
InChIKeySRIZKBSASSSPKS-UHFFFAOYSA-N
MW309.29 g/mol
LogP3.00
Rot. Bonds3

About 1-[3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]cyclobutane-1-carboxamide

1-[3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]cyclobutane-1-carboxamide (PubChem CID 162773616) has the molecular formula C15H14F3N3O and a molecular weight of 309.29 g/mol. Its IUPAC name is 1-[3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-[3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]cyclobutane-1-carboxamide
PubChem CID162773616
Molecular FormulaC15H14F3N3O
Molecular Weight309.29 g/mol
Exact Mass309.11
IUPAC Name1-[3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]cyclobutane-1-carboxamide
SMILESNC(=O)C1(c2cc(-c3ccc(C(F)(F)F)cc3)n[nH]2)CCC1
InChIInChI=1S/C15H14F3N3O/c16-15(17,18)10-4-2-9(3-5-10)11-8-12(21-20-11)14(13(19)22)6-1-7-14/h2-5,8H,1,6-7H2,(H2,19,22)(H,20,21)
InChIKeySRIZKBSASSSPKS-UHFFFAOYSA-N
XLogP3.00
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.29
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]cyclobutane-1-carboxamide?
The IUPAC name of 1-[3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]cyclobutane-1-carboxamide (CID 162773616) is 1-[3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-[3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-[3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]cyclobutane-1-carboxamide is NC(=O)C1(c2cc(-c3ccc(C(F)(F)F)cc3)n[nH]2)CCC1.
What is the InChIKey of 1-[3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]cyclobutane-1-carboxamide?
The InChIKey is SRIZKBSASSSPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O/c16-15(17,18)10-4-2-9(3-5-10)11-8-12(21-20-11)14(13(19)22)6-1-7-14/h2-5,8H,1,6-7H2,(H2,19,22)(H,20,21).
What are the key properties of 1-[3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]cyclobutane-1-carboxamide?
1-[3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]cyclobutane-1-carboxamide has a molecular weight of 309.29 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]cyclobutane-1-carboxamide is sourced from PubChem (CID 162773616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).