N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-oxochromene-3-carboxamide

C19H16F3N3O3 — CID 71807757

IUPACN-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-oxochromene-3-carboxamide
SMILESO=C(NCCn1nc(C(F)(F)F)cc1C1CC1)c1cc2ccccc2oc1=O
InChIInChI=1S/C19H16F3N3O3/c20-19(21,22)16-10-14(11-5-6-11)25(24-16)8-7-23-17(26)13-9-12-3-1-2-4-15(12)28-18(13)27/h1-4,9-11H,5-8H2,(H,23,26)
InChIKeyLRFASDMQKLHTOX-UHFFFAOYSA-N
MW391.35 g/mol
LogP3.32
Rot. Bonds5

About N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-oxochromene-3-carboxamide

N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-oxochromene-3-carboxamide (PubChem CID 71807757) has the molecular formula C19H16F3N3O3 and a molecular weight of 391.35 g/mol. Its IUPAC name is N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-oxochromene-3-carboxamide
PubChem CID71807757
Molecular FormulaC19H16F3N3O3
Molecular Weight391.35 g/mol
Exact Mass391.11
IUPAC NameN-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-oxochromene-3-carboxamide
SMILESO=C(NCCn1nc(C(F)(F)F)cc1C1CC1)c1cc2ccccc2oc1=O
InChIInChI=1S/C19H16F3N3O3/c20-19(21,22)16-10-14(11-5-6-11)25(24-16)8-7-23-17(26)13-9-12-3-1-2-4-15(12)28-18(13)27/h1-4,9-11H,5-8H2,(H,23,26)
InChIKeyLRFASDMQKLHTOX-UHFFFAOYSA-N
XLogP3.32
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.35
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-8-methoxy-2-oxochromene-3-carboxamide
CID 121139633
N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2,6-difluorobenzamide
CID 121139543
N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-2-oxochromene-3-carboxamide
CID 121119929
N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]propanamide
CID 121139501
2-oxo-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]chromene-3-carboxamide
CID 56742375
1-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-(2-methoxyethyl)urea
CID 71807788
2-oxo-N-(2-pyrazol-1-ylethyl)chromene-3-carboxamide
CID 110742740
N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-3-(trifluoromethyl)benzamide
CID 121139270
N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-4-fluorobenzamide
CID 19297898
N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-methylpyrazole-3-carboxamide
CID 17020642
N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 121139648
N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-(3-methoxyphenyl)acetamide
CID 121139555

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-oxochromene-3-carboxamide?
The IUPAC name of N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-oxochromene-3-carboxamide (CID 71807757) is N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-oxochromene-3-carboxamide?
The canonical SMILES for N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-oxochromene-3-carboxamide is O=C(NCCn1nc(C(F)(F)F)cc1C1CC1)c1cc2ccccc2oc1=O.
What is the InChIKey of N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-oxochromene-3-carboxamide?
The InChIKey is LRFASDMQKLHTOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O3/c20-19(21,22)16-10-14(11-5-6-11)25(24-16)8-7-23-17(26)13-9-12-3-1-2-4-15(12)28-18(13)27/h1-4,9-11H,5-8H2,(H,23,26).
What are the key properties of N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-oxochromene-3-carboxamide?
N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-oxochromene-3-carboxamide has a molecular weight of 391.35 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-oxochromene-3-carboxamide is sourced from PubChem (CID 71807757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).