N-[2-(4-chlorophenyl)propan-2-yl]-3-[(4-fluorobenzoyl)amino]-1H-furo[3,2-c]pyrazole-5-carboxamide

C22H18ClFN4O3 — CID 68905528

IUPACN-[2-(4-chlorophenyl)propan-2-yl]-3-[(4-fluorobenzoyl)amino]-1H-furo[3,2-c]pyrazole-5-carboxamide
SMILESCC(C)(NC(=O)c1cc2[nH]nc(NC(=O)c3ccc(F)cc3)c2o1)c1ccc(Cl)cc1
InChIInChI=1S/C22H18ClFN4O3/c1-22(2,13-5-7-14(23)8-6-13)26-21(30)17-11-16-18(31-17)19(28-27-16)25-20(29)12-3-9-15(24)10-4-12/h3-11H,1-2H3,(H,26,30)(H2,25,27,28,29)
InChIKeyFVPBKGTXXSWXNK-UHFFFAOYSA-N
MW440.86 g/mol
LogP4.87
Rot. Bonds5

About N-[2-(4-chlorophenyl)propan-2-yl]-3-[(4-fluorobenzoyl)amino]-1H-furo[3,2-c]pyrazole-5-carboxamide

N-[2-(4-chlorophenyl)propan-2-yl]-3-[(4-fluorobenzoyl)amino]-1H-furo[3,2-c]pyrazole-5-carboxamide (PubChem CID 68905528) has the molecular formula C22H18ClFN4O3 and a molecular weight of 440.86 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)propan-2-yl]-3-[(4-fluorobenzoyl)amino]-1H-furo[3,2-c]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)propan-2-yl]-3-[(4-fluorobenzoyl)amino]-1H-furo[3,2-c]pyrazole-5-carboxamide
PubChem CID68905528
Molecular FormulaC22H18ClFN4O3
Molecular Weight440.86 g/mol
Exact Mass440.11
IUPAC NameN-[2-(4-chlorophenyl)propan-2-yl]-3-[(4-fluorobenzoyl)amino]-1H-furo[3,2-c]pyrazole-5-carboxamide
SMILESCC(C)(NC(=O)c1cc2[nH]nc(NC(=O)c3ccc(F)cc3)c2o1)c1ccc(Cl)cc1
InChIInChI=1S/C22H18ClFN4O3/c1-22(2,13-5-7-14(23)8-6-13)26-21(30)17-11-16-18(31-17)19(28-27-16)25-20(29)12-3-9-15(24)10-4-12/h3-11H,1-2H3,(H,26,30)(H2,25,27,28,29)
InChIKeyFVPBKGTXXSWXNK-UHFFFAOYSA-N
XLogP4.87
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.86
LogP ≤ 54.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)propan-2-yl]-3-[(4-fluorobenzoyl)amino]-1H-furo[3,2-c]pyrazole-5-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)propan-2-yl]-3-[(4-fluorobenzoyl)amino]-1H-furo[3,2-c]pyrazole-5-carboxamide (CID 68905528) is N-[2-(4-chlorophenyl)propan-2-yl]-3-[(4-fluorobenzoyl)amino]-1H-furo[3,2-c]pyrazole-5-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)propan-2-yl]-3-[(4-fluorobenzoyl)amino]-1H-furo[3,2-c]pyrazole-5-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)propan-2-yl]-3-[(4-fluorobenzoyl)amino]-1H-furo[3,2-c]pyrazole-5-carboxamide is CC(C)(NC(=O)c1cc2[nH]nc(NC(=O)c3ccc(F)cc3)c2o1)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)propan-2-yl]-3-[(4-fluorobenzoyl)amino]-1H-furo[3,2-c]pyrazole-5-carboxamide?
The InChIKey is FVPBKGTXXSWXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClFN4O3/c1-22(2,13-5-7-14(23)8-6-13)26-21(30)17-11-16-18(31-17)19(28-27-16)25-20(29)12-3-9-15(24)10-4-12/h3-11H,1-2H3,(H,26,30)(H2,25,27,28,29).
What are the key properties of N-[2-(4-chlorophenyl)propan-2-yl]-3-[(4-fluorobenzoyl)amino]-1H-furo[3,2-c]pyrazole-5-carboxamide?
N-[2-(4-chlorophenyl)propan-2-yl]-3-[(4-fluorobenzoyl)amino]-1H-furo[3,2-c]pyrazole-5-carboxamide has a molecular weight of 440.86 g/mol, XLogP of 4.87, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)propan-2-yl]-3-[(4-fluorobenzoyl)amino]-1H-furo[3,2-c]pyrazole-5-carboxamide is sourced from PubChem (CID 68905528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).