[3-[2-(trifluoromethoxy)ethylcarbamoyl]pyrazolo[1,5-a]pyridin-5-yl]carbamic acid

C12H11F3N4O4 — CID 130475612

IUPAC[3-[2-(trifluoromethoxy)ethylcarbamoyl]pyrazolo[1,5-a]pyridin-5-yl]carbamic acid
SMILESO=C(O)Nc1ccn2ncc(C(=O)NCCOC(F)(F)F)c2c1
InChIInChI=1S/C12H11F3N4O4/c13-12(14,15)23-4-2-16-10(20)8-6-17-19-3-1-7(5-9(8)19)18-11(21)22/h1,3,5-6,18H,2,4H2,(H,16,20)(H,21,22)
InChIKeyDLPRAFBNROUPEM-UHFFFAOYSA-N
MW332.24 g/mol
LogP1.69
Rot. Bonds5

About [3-[2-(trifluoromethoxy)ethylcarbamoyl]pyrazolo[1,5-a]pyridin-5-yl]carbamic acid

[3-[2-(trifluoromethoxy)ethylcarbamoyl]pyrazolo[1,5-a]pyridin-5-yl]carbamic acid (PubChem CID 130475612) has the molecular formula C12H11F3N4O4 and a molecular weight of 332.24 g/mol. Its IUPAC name is [3-[2-(trifluoromethoxy)ethylcarbamoyl]pyrazolo[1,5-a]pyridin-5-yl]carbamic acid.

Molecular Properties

Compound Name[3-[2-(trifluoromethoxy)ethylcarbamoyl]pyrazolo[1,5-a]pyridin-5-yl]carbamic acid
PubChem CID130475612
Molecular FormulaC12H11F3N4O4
Molecular Weight332.24 g/mol
Exact Mass332.07
IUPAC Name[3-[2-(trifluoromethoxy)ethylcarbamoyl]pyrazolo[1,5-a]pyridin-5-yl]carbamic acid
SMILESO=C(O)Nc1ccn2ncc(C(=O)NCCOC(F)(F)F)c2c1
InChIInChI=1S/C12H11F3N4O4/c13-12(14,15)23-4-2-16-10(20)8-6-17-19-3-1-7(5-9(8)19)18-11(21)22/h1,3,5-6,18H,2,4H2,(H,16,20)(H,21,22)
InChIKeyDLPRAFBNROUPEM-UHFFFAOYSA-N
XLogP1.69
TPSA104.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.24
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3-iodopyrazolo[1,5-a]pyridin-5-yl)carbamic acid
CID 175432498
ethyl 5-[[4-(trifluoromethyl)benzoyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 90556586
ethyl 5-[[2-(trifluoromethyl)phenyl]carbamoylamino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 90556717
ethyl 5-[(2-chloroacetyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 90556540
ethyl 5-[(2-methylbenzoyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 71797784
ethyl 5-[(4-fluorobenzoyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 90556567
ethyl 5-(1,2-oxazole-5-carbonylamino)pyrazolo[1,5-a]pyridine-3-carboxylate
CID 90556491
ethyl 5-[(2-chlorobenzoyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 71797786
ethyl 5-[(2-bromobenzoyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 71797787
ethyl 5-[(2-phenoxyacetyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 90556593
ethyl 5-(3-cyclohexylpropanoylamino)pyrazolo[1,5-a]pyridine-3-carboxylate
CID 90556537
ethyl 5-(3,3-diphenylpropanoylamino)pyrazolo[1,5-a]pyridine-3-carboxylate
CID 90556619

Frequently Asked Questions

What is the IUPAC name of [3-[2-(trifluoromethoxy)ethylcarbamoyl]pyrazolo[1,5-a]pyridin-5-yl]carbamic acid?
The IUPAC name of [3-[2-(trifluoromethoxy)ethylcarbamoyl]pyrazolo[1,5-a]pyridin-5-yl]carbamic acid (CID 130475612) is [3-[2-(trifluoromethoxy)ethylcarbamoyl]pyrazolo[1,5-a]pyridin-5-yl]carbamic acid.
What is the SMILES notation for [3-[2-(trifluoromethoxy)ethylcarbamoyl]pyrazolo[1,5-a]pyridin-5-yl]carbamic acid?
The canonical SMILES for [3-[2-(trifluoromethoxy)ethylcarbamoyl]pyrazolo[1,5-a]pyridin-5-yl]carbamic acid is O=C(O)Nc1ccn2ncc(C(=O)NCCOC(F)(F)F)c2c1.
What is the InChIKey of [3-[2-(trifluoromethoxy)ethylcarbamoyl]pyrazolo[1,5-a]pyridin-5-yl]carbamic acid?
The InChIKey is DLPRAFBNROUPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4O4/c13-12(14,15)23-4-2-16-10(20)8-6-17-19-3-1-7(5-9(8)19)18-11(21)22/h1,3,5-6,18H,2,4H2,(H,16,20)(H,21,22).
What are the key properties of [3-[2-(trifluoromethoxy)ethylcarbamoyl]pyrazolo[1,5-a]pyridin-5-yl]carbamic acid?
[3-[2-(trifluoromethoxy)ethylcarbamoyl]pyrazolo[1,5-a]pyridin-5-yl]carbamic acid has a molecular weight of 332.24 g/mol, XLogP of 1.69, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(trifluoromethoxy)ethylcarbamoyl]pyrazolo[1,5-a]pyridin-5-yl]carbamic acid is sourced from PubChem (CID 130475612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).