N-[5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]-2,3-dihydro-1H-indene-2-carboxamide

C20H16F3N3O — CID 18789317

IUPACN-[5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]-2,3-dihydro-1H-indene-2-carboxamide
SMILESO=C(Nc1cc(-c2cccc(C(F)(F)F)c2)[nH]n1)C1Cc2ccccc2C1
InChIInChI=1S/C20H16F3N3O/c21-20(22,23)16-7-3-6-14(10-16)17-11-18(26-25-17)24-19(27)15-8-12-4-1-2-5-13(12)9-15/h1-7,10-11,15H,8-9H2,(H2,24,25,26,27)
InChIKeyGJRKAKHXKNJMEK-UHFFFAOYSA-N
MW371.36 g/mol
LogP4.45
Rot. Bonds3

About N-[5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]-2,3-dihydro-1H-indene-2-carboxamide

N-[5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]-2,3-dihydro-1H-indene-2-carboxamide (PubChem CID 18789317) has the molecular formula C20H16F3N3O and a molecular weight of 371.36 g/mol. Its IUPAC name is N-[5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]-2,3-dihydro-1H-indene-2-carboxamide.

Molecular Properties

Compound NameN-[5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]-2,3-dihydro-1H-indene-2-carboxamide
PubChem CID18789317
Molecular FormulaC20H16F3N3O
Molecular Weight371.36 g/mol
Exact Mass371.12
IUPAC NameN-[5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]-2,3-dihydro-1H-indene-2-carboxamide
SMILESO=C(Nc1cc(-c2cccc(C(F)(F)F)c2)[nH]n1)C1Cc2ccccc2C1
InChIInChI=1S/C20H16F3N3O/c21-20(22,23)16-7-3-6-14(10-16)17-11-18(26-25-17)24-19(27)15-8-12-4-1-2-5-13(12)9-15/h1-7,10-11,15H,8-9H2,(H2,24,25,26,27)
InChIKeyGJRKAKHXKNJMEK-UHFFFAOYSA-N
XLogP4.45
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.36
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]-2,3-dihydro-1H-indene-2-carboxamide?
The IUPAC name of N-[5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]-2,3-dihydro-1H-indene-2-carboxamide (CID 18789317) is N-[5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]-2,3-dihydro-1H-indene-2-carboxamide.
What is the SMILES notation for N-[5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]-2,3-dihydro-1H-indene-2-carboxamide?
The canonical SMILES for N-[5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]-2,3-dihydro-1H-indene-2-carboxamide is O=C(Nc1cc(-c2cccc(C(F)(F)F)c2)[nH]n1)C1Cc2ccccc2C1.
What is the InChIKey of N-[5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]-2,3-dihydro-1H-indene-2-carboxamide?
The InChIKey is GJRKAKHXKNJMEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O/c21-20(22,23)16-7-3-6-14(10-16)17-11-18(26-25-17)24-19(27)15-8-12-4-1-2-5-13(12)9-15/h1-7,10-11,15H,8-9H2,(H2,24,25,26,27).
What are the key properties of N-[5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]-2,3-dihydro-1H-indene-2-carboxamide?
N-[5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]-2,3-dihydro-1H-indene-2-carboxamide has a molecular weight of 371.36 g/mol, XLogP of 4.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]-2,3-dihydro-1H-indene-2-carboxamide is sourced from PubChem (CID 18789317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).