N-[1-(2-chlorophenyl)-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]pyrazol-5-yl]furan-2-carboxamide

C25H21ClFN5O3 — CID 991528

IUPACN-[1-(2-chlorophenyl)-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]pyrazol-5-yl]furan-2-carboxamide
SMILESO=C(Nc1c(C(=O)N2CCN(c3ccc(F)cc3)CC2)cnn1-c1ccccc1Cl)c1ccco1
InChIInChI=1S/C25H21ClFN5O3/c26-20-4-1-2-5-21(20)32-23(29-24(33)22-6-3-15-35-22)19(16-28-32)25(34)31-13-11-30(12-14-31)18-9-7-17(27)8-10-18/h1-10,15-16H,11-14H2,(H,29,33)
InChIKeyIHAVGQKUYOPFNE-UHFFFAOYSA-N
MW493.93 g/mol
LogP4.47
Rot. Bonds5

About N-[1-(2-chlorophenyl)-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]pyrazol-5-yl]furan-2-carboxamide

N-[1-(2-chlorophenyl)-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]pyrazol-5-yl]furan-2-carboxamide (PubChem CID 991528) has the molecular formula C25H21ClFN5O3 and a molecular weight of 493.93 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]pyrazol-5-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]pyrazol-5-yl]furan-2-carboxamide
PubChem CID991528
Molecular FormulaC25H21ClFN5O3
Molecular Weight493.93 g/mol
Exact Mass493.13
IUPAC NameN-[1-(2-chlorophenyl)-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]pyrazol-5-yl]furan-2-carboxamide
SMILESO=C(Nc1c(C(=O)N2CCN(c3ccc(F)cc3)CC2)cnn1-c1ccccc1Cl)c1ccco1
InChIInChI=1S/C25H21ClFN5O3/c26-20-4-1-2-5-21(20)32-23(29-24(33)22-6-3-15-35-22)19(16-28-32)25(34)31-13-11-30(12-14-31)18-9-7-17(27)8-10-18/h1-10,15-16H,11-14H2,(H,29,33)
InChIKeyIHAVGQKUYOPFNE-UHFFFAOYSA-N
XLogP4.47
TPSA83.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.93
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]pyrazol-5-yl]furan-2-carboxamide?
The IUPAC name of N-[1-(2-chlorophenyl)-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]pyrazol-5-yl]furan-2-carboxamide (CID 991528) is N-[1-(2-chlorophenyl)-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]pyrazol-5-yl]furan-2-carboxamide.
What is the SMILES notation for N-[1-(2-chlorophenyl)-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]pyrazol-5-yl]furan-2-carboxamide?
The canonical SMILES for N-[1-(2-chlorophenyl)-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]pyrazol-5-yl]furan-2-carboxamide is O=C(Nc1c(C(=O)N2CCN(c3ccc(F)cc3)CC2)cnn1-c1ccccc1Cl)c1ccco1.
What is the InChIKey of N-[1-(2-chlorophenyl)-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]pyrazol-5-yl]furan-2-carboxamide?
The InChIKey is IHAVGQKUYOPFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClFN5O3/c26-20-4-1-2-5-21(20)32-23(29-24(33)22-6-3-15-35-22)19(16-28-32)25(34)31-13-11-30(12-14-31)18-9-7-17(27)8-10-18/h1-10,15-16H,11-14H2,(H,29,33).
What are the key properties of N-[1-(2-chlorophenyl)-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]pyrazol-5-yl]furan-2-carboxamide?
N-[1-(2-chlorophenyl)-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]pyrazol-5-yl]furan-2-carboxamide has a molecular weight of 493.93 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]pyrazol-5-yl]furan-2-carboxamide is sourced from PubChem (CID 991528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).