N-[2-[4-(1H-pyrazol-5-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]furan-2-carboxamide

C20H20F3N5O2 — CID 129032631

IUPACN-[2-[4-(1H-pyrazol-5-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1N1CCN(Cc2ccn[nH]2)CC1)c1ccco1
InChIInChI=1S/C20H20F3N5O2/c21-20(22,23)14-3-4-17(16(12-14)25-19(29)18-2-1-11-30-18)28-9-7-27(8-10-28)13-15-5-6-24-26-15/h1-6,11-12H,7-10,13H2,(H,24,26)(H,25,29)
InChIKeyFQONGSBBRRLDQG-UHFFFAOYSA-N
MW419.41 g/mol
LogP3.60
Rot. Bonds5

About N-[2-[4-(1H-pyrazol-5-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]furan-2-carboxamide

N-[2-[4-(1H-pyrazol-5-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]furan-2-carboxamide (PubChem CID 129032631) has the molecular formula C20H20F3N5O2 and a molecular weight of 419.41 g/mol. Its IUPAC name is N-[2-[4-(1H-pyrazol-5-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(1H-pyrazol-5-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]furan-2-carboxamide
PubChem CID129032631
Molecular FormulaC20H20F3N5O2
Molecular Weight419.41 g/mol
Exact Mass419.16
IUPAC NameN-[2-[4-(1H-pyrazol-5-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1N1CCN(Cc2ccn[nH]2)CC1)c1ccco1
InChIInChI=1S/C20H20F3N5O2/c21-20(22,23)14-3-4-17(16(12-14)25-19(29)18-2-1-11-30-18)28-9-7-27(8-10-28)13-15-5-6-24-26-15/h1-6,11-12H,7-10,13H2,(H,24,26)(H,25,29)
InChIKeyFQONGSBBRRLDQG-UHFFFAOYSA-N
XLogP3.60
TPSA77.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.41
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(1H-pyrazol-5-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]furan-2-carboxamide?
The IUPAC name of N-[2-[4-(1H-pyrazol-5-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]furan-2-carboxamide (CID 129032631) is N-[2-[4-(1H-pyrazol-5-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[4-(1H-pyrazol-5-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[4-(1H-pyrazol-5-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]furan-2-carboxamide is O=C(Nc1cc(C(F)(F)F)ccc1N1CCN(Cc2ccn[nH]2)CC1)c1ccco1.
What is the InChIKey of N-[2-[4-(1H-pyrazol-5-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]furan-2-carboxamide?
The InChIKey is FQONGSBBRRLDQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N5O2/c21-20(22,23)14-3-4-17(16(12-14)25-19(29)18-2-1-11-30-18)28-9-7-27(8-10-28)13-15-5-6-24-26-15/h1-6,11-12H,7-10,13H2,(H,24,26)(H,25,29).
What are the key properties of N-[2-[4-(1H-pyrazol-5-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]furan-2-carboxamide?
N-[2-[4-(1H-pyrazol-5-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]furan-2-carboxamide has a molecular weight of 419.41 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(1H-pyrazol-5-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 129032631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).