N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide

C19H16FN5O2 — CID 19407456

IUPACN-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
SMILESO=C(Nc1ccn(Cc2cccc(F)c2)n1)c1ccc(Cn2cccn2)o1
InChIInChI=1S/C19H16FN5O2/c20-15-4-1-3-14(11-15)12-25-10-7-18(23-25)22-19(26)17-6-5-16(27-17)13-24-9-2-8-21-24/h1-11H,12-13H2,(H,22,23,26)
InChIKeyWINQRKVHNAIFQI-UHFFFAOYSA-N
MW365.37 g/mol
LogP3.16
Rot. Bonds6

About N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide

N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide (PubChem CID 19407456) has the molecular formula C19H16FN5O2 and a molecular weight of 365.37 g/mol. Its IUPAC name is N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
PubChem CID19407456
Molecular FormulaC19H16FN5O2
Molecular Weight365.37 g/mol
Exact Mass365.13
IUPAC NameN-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
SMILESO=C(Nc1ccn(Cc2cccc(F)c2)n1)c1ccc(Cn2cccn2)o1
InChIInChI=1S/C19H16FN5O2/c20-15-4-1-3-14(11-15)12-25-10-7-18(23-25)22-19(26)17-6-5-16(27-17)13-24-9-2-8-21-24/h1-11H,12-13H2,(H,22,23,26)
InChIKeyWINQRKVHNAIFQI-UHFFFAOYSA-N
XLogP3.16
TPSA77.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.37
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide?
The IUPAC name of N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide (CID 19407456) is N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide?
The canonical SMILES for N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide is O=C(Nc1ccn(Cc2cccc(F)c2)n1)c1ccc(Cn2cccn2)o1.
What is the InChIKey of N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide?
The InChIKey is WINQRKVHNAIFQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5O2/c20-15-4-1-3-14(11-15)12-25-10-7-18(23-25)22-19(26)17-6-5-16(27-17)13-24-9-2-8-21-24/h1-11H,12-13H2,(H,22,23,26).
What are the key properties of N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide?
N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide has a molecular weight of 365.37 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 19407456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).