N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]pyrazine-2-carboxamide

C15H12FN5O — CID 3245050

IUPACN-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]pyrazine-2-carboxamide
SMILESO=C(Nc1cnn(Cc2ccc(F)cc2)c1)c1cnccn1
InChIInChI=1S/C15H12FN5O/c16-12-3-1-11(2-4-12)9-21-10-13(7-19-21)20-15(22)14-8-17-5-6-18-14/h1-8,10H,9H2,(H,20,22)
InChIKeyFFBJICMNIDMFNS-UHFFFAOYSA-N
MW297.29 g/mol
LogP2.11
Rot. Bonds4

About N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]pyrazine-2-carboxamide

N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]pyrazine-2-carboxamide (PubChem CID 3245050) has the molecular formula C15H12FN5O and a molecular weight of 297.29 g/mol. Its IUPAC name is N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]pyrazine-2-carboxamide
PubChem CID3245050
Molecular FormulaC15H12FN5O
Molecular Weight297.29 g/mol
Exact Mass297.10
IUPAC NameN-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]pyrazine-2-carboxamide
SMILESO=C(Nc1cnn(Cc2ccc(F)cc2)c1)c1cnccn1
InChIInChI=1S/C15H12FN5O/c16-12-3-1-11(2-4-12)9-21-10-13(7-19-21)20-15(22)14-8-17-5-6-18-14/h1-8,10H,9H2,(H,20,22)
InChIKeyFFBJICMNIDMFNS-UHFFFAOYSA-N
XLogP2.11
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.29
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]pyrazine-2-carboxamide (CID 3245050) is N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]pyrazine-2-carboxamide is O=C(Nc1cnn(Cc2ccc(F)cc2)c1)c1cnccn1.
What is the InChIKey of N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]pyrazine-2-carboxamide?
The InChIKey is FFBJICMNIDMFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN5O/c16-12-3-1-11(2-4-12)9-21-10-13(7-19-21)20-15(22)14-8-17-5-6-18-14/h1-8,10H,9H2,(H,20,22).
What are the key properties of N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]pyrazine-2-carboxamide?
N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]pyrazine-2-carboxamide has a molecular weight of 297.29 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 3245050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).