Skip to content

UFTPAFQIGWADRC-UHFFFAOYSA-N

C21H16ClF4N5O2 — CID 118062708

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-(3-chlorophenyl)-5-N-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESNC(=O)c1c(-c2cccc(Cl)c2)nn2c1CN(C(=O)Nc1ccc(C(F)(F)F)c(F)c1)CC2
InChIInChI=1S/C21H16ClF4N5O2/c22-12-3-1-2-11(8-12)18-17(19(27)32)16-10-30(6-7-31(16)29-18)20(33)28-13-4-5-14(15(23)9-13)21(24,25)26/h1-5,8-9H,6-7,10H2,(H2,27,32)(H,28,33)
InChIKeyUFTPAFQIGWADRC-UHFFFAOYSA-N
MW481.84 g/mol
LogP4.51
Rot. Bonds3

About UFTPAFQIGWADRC-UHFFFAOYSA-N

UFTPAFQIGWADRC-UHFFFAOYSA-N (PubChem CID 118062708) has the molecular formula C21H16ClF4N5O2 and a molecular weight of 481.84 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-5-N-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.

Molecular Properties

Compound NameUFTPAFQIGWADRC-UHFFFAOYSA-N
PubChem CID118062708
Molecular FormulaC21H16ClF4N5O2
Molecular Weight481.84 g/mol
Exact Mass481.09
IUPAC Name2-(3-chlorophenyl)-5-N-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
SMILESNC(=O)c1c(-c2cccc(Cl)c2)nn2c1CN(C(=O)Nc1ccc(C(F)(F)F)c(F)c1)CC2
InChIInChI=1S/C21H16ClF4N5O2/c22-12-3-1-2-11(8-12)18-17(19(27)32)16-10-30(6-7-31(16)29-18)20(33)28-13-4-5-14(15(23)9-13)21(24,25)26/h1-5,8-9H,6-7,10H2,(H2,27,32)(H,28,33)
InChIKeyUFTPAFQIGWADRC-UHFFFAOYSA-N
XLogP4.51
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.84
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze UFTPAFQIGWADRC-UHFFFAOYSA-N with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of UFTPAFQIGWADRC-UHFFFAOYSA-N?
The IUPAC name of UFTPAFQIGWADRC-UHFFFAOYSA-N (CID 118062708) is 2-(3-chlorophenyl)-5-N-[3-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide.
What is the SMILES notation for UFTPAFQIGWADRC-UHFFFAOYSA-N?
The canonical SMILES for UFTPAFQIGWADRC-UHFFFAOYSA-N is NC(=O)c1c(-c2cccc(Cl)c2)nn2c1CN(C(=O)Nc1ccc(C(F)(F)F)c(F)c1)CC2.
What is the InChIKey of UFTPAFQIGWADRC-UHFFFAOYSA-N?
The InChIKey is UFTPAFQIGWADRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClF4N5O2/c22-12-3-1-2-11(8-12)18-17(19(27)32)16-10-30(6-7-31(16)29-18)20(33)28-13-4-5-14(15(23)9-13)21(24,25)26/h1-5,8-9H,6-7,10H2,(H2,27,32)(H,28,33).
What are the key properties of UFTPAFQIGWADRC-UHFFFAOYSA-N?
UFTPAFQIGWADRC-UHFFFAOYSA-N has a molecular weight of 481.84 g/mol, XLogP of 4.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for UFTPAFQIGWADRC-UHFFFAOYSA-N is sourced from PubChem (CID 118062708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.