N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-methylpyrazol-1-yl)propanamide

C15H13F3N4O — CID 71869168

IUPACN-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-methylpyrazol-1-yl)propanamide
SMILESCc1cnn(CCC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)c1
InChIInChI=1S/C15H13F3N4O/c1-10-8-20-22(9-10)5-4-14(23)21-12-3-2-11(7-19)13(6-12)15(16,17)18/h2-3,6,8-9H,4-5H2,1H3,(H,21,23)
InChIKeyILBDOQUSWDGCSH-UHFFFAOYSA-N
MW322.29 g/mol
LogP3.11
Rot. Bonds4

About N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-methylpyrazol-1-yl)propanamide

N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-methylpyrazol-1-yl)propanamide (PubChem CID 71869168) has the molecular formula C15H13F3N4O and a molecular weight of 322.29 g/mol. Its IUPAC name is N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-methylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-methylpyrazol-1-yl)propanamide
PubChem CID71869168
Molecular FormulaC15H13F3N4O
Molecular Weight322.29 g/mol
Exact Mass322.10
IUPAC NameN-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-methylpyrazol-1-yl)propanamide
SMILESCc1cnn(CCC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)c1
InChIInChI=1S/C15H13F3N4O/c1-10-8-20-22(9-10)5-4-14(23)21-12-3-2-11(7-19)13(6-12)15(16,17)18/h2-3,6,8-9H,4-5H2,1H3,(H,21,23)
InChIKeyILBDOQUSWDGCSH-UHFFFAOYSA-N
XLogP3.11
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.29
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-methylpyrazol-1-yl)propanamide?
The IUPAC name of N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-methylpyrazol-1-yl)propanamide (CID 71869168) is N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-methylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-methylpyrazol-1-yl)propanamide?
The canonical SMILES for N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-methylpyrazol-1-yl)propanamide is Cc1cnn(CCC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)c1.
What is the InChIKey of N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-methylpyrazol-1-yl)propanamide?
The InChIKey is ILBDOQUSWDGCSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N4O/c1-10-8-20-22(9-10)5-4-14(23)21-12-3-2-11(7-19)13(6-12)15(16,17)18/h2-3,6,8-9H,4-5H2,1H3,(H,21,23).
What are the key properties of N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-methylpyrazol-1-yl)propanamide?
N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-methylpyrazol-1-yl)propanamide has a molecular weight of 322.29 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-methylpyrazol-1-yl)propanamide is sourced from PubChem (CID 71869168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).