N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]furan-3-carboxamide

C16H9F6N3O2 — CID 10134902

IUPACN-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]furan-3-carboxamide
SMILESO=C(Nc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1)c1ccoc1
InChIInChI=1S/C16H9F6N3O2/c17-15(18,19)12-7-13(16(20,21)22)25(24-12)11-3-1-10(2-4-11)23-14(26)9-5-6-27-8-9/h1-8H,(H,23,26)
InChIKeyBWJKKMDDNQNVNB-UHFFFAOYSA-N
MW389.26 g/mol
LogP4.76
Rot. Bonds3

About N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]furan-3-carboxamide

N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]furan-3-carboxamide (PubChem CID 10134902) has the molecular formula C16H9F6N3O2 and a molecular weight of 389.26 g/mol. Its IUPAC name is N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]furan-3-carboxamide
PubChem CID10134902
Molecular FormulaC16H9F6N3O2
Molecular Weight389.26 g/mol
Exact Mass389.06
IUPAC NameN-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]furan-3-carboxamide
SMILESO=C(Nc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1)c1ccoc1
InChIInChI=1S/C16H9F6N3O2/c17-15(18,19)12-7-13(16(20,21)22)25(24-12)11-3-1-10(2-4-11)23-14(26)9-5-6-27-8-9/h1-8H,(H,23,26)
InChIKeyBWJKKMDDNQNVNB-UHFFFAOYSA-N
XLogP4.76
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.26
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]furan-3-carboxamide?
The IUPAC name of N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]furan-3-carboxamide (CID 10134902) is N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]furan-3-carboxamide.
What is the SMILES notation for N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]furan-3-carboxamide?
The canonical SMILES for N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]furan-3-carboxamide is O=C(Nc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1)c1ccoc1.
What is the InChIKey of N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]furan-3-carboxamide?
The InChIKey is BWJKKMDDNQNVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F6N3O2/c17-15(18,19)12-7-13(16(20,21)22)25(24-12)11-3-1-10(2-4-11)23-14(26)9-5-6-27-8-9/h1-8H,(H,23,26).
What are the key properties of N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]furan-3-carboxamide?
N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]furan-3-carboxamide has a molecular weight of 389.26 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]furan-3-carboxamide is sourced from PubChem (CID 10134902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).