1-phenyl-4-propoxy-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrazole-3-carboxamide

C18H18F3N5O2 — CID 139013299

IUPAC1-phenyl-4-propoxy-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrazole-3-carboxamide
SMILESCCCOc1cn(-c2ccccc2)nc1C(=O)Nc1ccn(CC(F)(F)F)n1
InChIInChI=1S/C18H18F3N5O2/c1-2-10-28-14-11-26(13-6-4-3-5-7-13)24-16(14)17(27)22-15-8-9-25(23-15)12-18(19,20)21/h3-9,11H,2,10,12H2,1H3,(H,22,23,27)
InChIKeyOAGPARSIDQTZBE-UHFFFAOYSA-N
MW393.37 g/mol
LogP3.67
Rot. Bonds7

About 1-phenyl-4-propoxy-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrazole-3-carboxamide

1-phenyl-4-propoxy-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrazole-3-carboxamide (PubChem CID 139013299) has the molecular formula C18H18F3N5O2 and a molecular weight of 393.37 g/mol. Its IUPAC name is 1-phenyl-4-propoxy-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-phenyl-4-propoxy-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrazole-3-carboxamide
PubChem CID139013299
Molecular FormulaC18H18F3N5O2
Molecular Weight393.37 g/mol
Exact Mass393.14
IUPAC Name1-phenyl-4-propoxy-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrazole-3-carboxamide
SMILESCCCOc1cn(-c2ccccc2)nc1C(=O)Nc1ccn(CC(F)(F)F)n1
InChIInChI=1S/C18H18F3N5O2/c1-2-10-28-14-11-26(13-6-4-3-5-7-13)24-16(14)17(27)22-15-8-9-25(23-15)12-18(19,20)21/h3-9,11H,2,10,12H2,1H3,(H,22,23,27)
InChIKeyOAGPARSIDQTZBE-UHFFFAOYSA-N
XLogP3.67
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.37
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-phenyl-4-propoxy-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methylsulfonyl-1-phenyl-4-propoxypyrazole-3-carboxamide
CID 146154385
1-phenyl-4-(3,3,3-trifluoropropoxy)pyrazole-3-carboxylic acid
CID 64552674
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-4-propoxypyrazole-3-carboxamide
CID 98393412
N-[3-(ethylaminomethyl)phenyl]-1-phenyl-4-propoxypyrazole-3-carboxamide;hydrochloride
CID 119438563
N-(1-ethylpiperidin-4-yl)-1-phenyl-4-propoxypyrazole-3-carboxamide
CID 138996163
4-methoxy-1-phenyl-N-pyridin-2-ylpyrazole-3-carboxamide
CID 24538158
1-(4-fluorophenyl)-N-(2-methoxyethyl)-4-propoxypyrazole-3-carboxamide
CID 42109759
4-(4-methoxybutoxy)-1-phenylpyrazole-3-carboxylic acid
CID 104646795
4-methoxy-N-(4-methyl-2-pyridinyl)-1-phenylpyrazole-3-carboxamide
CID 35029722
N-[2-(dimethylamino)ethyl]-1-(4-fluorophenyl)-4-propoxypyrazole-3-carboxamide
CID 42109762
[1-(4-fluorophenyl)-4-propoxypyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 42109754
4-(2-acetamidoethoxy)-1-phenylpyrazole-3-carboxylic acid
CID 43310291

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-propoxy-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrazole-3-carboxamide?
The IUPAC name of 1-phenyl-4-propoxy-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrazole-3-carboxamide (CID 139013299) is 1-phenyl-4-propoxy-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-phenyl-4-propoxy-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrazole-3-carboxamide?
The canonical SMILES for 1-phenyl-4-propoxy-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrazole-3-carboxamide is CCCOc1cn(-c2ccccc2)nc1C(=O)Nc1ccn(CC(F)(F)F)n1.
What is the InChIKey of 1-phenyl-4-propoxy-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrazole-3-carboxamide?
The InChIKey is OAGPARSIDQTZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N5O2/c1-2-10-28-14-11-26(13-6-4-3-5-7-13)24-16(14)17(27)22-15-8-9-25(23-15)12-18(19,20)21/h3-9,11H,2,10,12H2,1H3,(H,22,23,27).
What are the key properties of 1-phenyl-4-propoxy-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrazole-3-carboxamide?
1-phenyl-4-propoxy-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrazole-3-carboxamide has a molecular weight of 393.37 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-propoxy-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 139013299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).