N-[1-(4-fluorophenyl)-4-methylpyrazol-3-yl]formamide

C11H10FN3O — CID 57312696

IUPACN-[1-(4-fluorophenyl)-4-methylpyrazol-3-yl]formamide
SMILESCc1cn(-c2ccc(F)cc2)nc1NC=O
InChIInChI=1S/C11H10FN3O/c1-8-6-15(14-11(8)13-7-16)10-4-2-9(12)3-5-10/h2-7H,1H3,(H,13,14,16)
InChIKeyRUNLLVUVDUVDGF-UHFFFAOYSA-N
MW219.22 g/mol
LogP1.89
Rot. Bonds3

About N-[1-(4-fluorophenyl)-4-methylpyrazol-3-yl]formamide

N-[1-(4-fluorophenyl)-4-methylpyrazol-3-yl]formamide (PubChem CID 57312696) has the molecular formula C11H10FN3O and a molecular weight of 219.22 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-4-methylpyrazol-3-yl]formamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-4-methylpyrazol-3-yl]formamide
PubChem CID57312696
Molecular FormulaC11H10FN3O
Molecular Weight219.22 g/mol
Exact Mass219.08
IUPAC NameN-[1-(4-fluorophenyl)-4-methylpyrazol-3-yl]formamide
SMILESCc1cn(-c2ccc(F)cc2)nc1NC=O
InChIInChI=1S/C11H10FN3O/c1-8-6-15(14-11(8)13-7-16)10-4-2-9(12)3-5-10/h2-7H,1H3,(H,13,14,16)
InChIKeyRUNLLVUVDUVDGF-UHFFFAOYSA-N
XLogP1.89
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.22
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-4-methylpyrazol-3-yl]formamide?
The IUPAC name of N-[1-(4-fluorophenyl)-4-methylpyrazol-3-yl]formamide (CID 57312696) is N-[1-(4-fluorophenyl)-4-methylpyrazol-3-yl]formamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)-4-methylpyrazol-3-yl]formamide?
The canonical SMILES for N-[1-(4-fluorophenyl)-4-methylpyrazol-3-yl]formamide is Cc1cn(-c2ccc(F)cc2)nc1NC=O.
What is the InChIKey of N-[1-(4-fluorophenyl)-4-methylpyrazol-3-yl]formamide?
The InChIKey is RUNLLVUVDUVDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O/c1-8-6-15(14-11(8)13-7-16)10-4-2-9(12)3-5-10/h2-7H,1H3,(H,13,14,16).
What are the key properties of N-[1-(4-fluorophenyl)-4-methylpyrazol-3-yl]formamide?
N-[1-(4-fluorophenyl)-4-methylpyrazol-3-yl]formamide has a molecular weight of 219.22 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-4-methylpyrazol-3-yl]formamide is sourced from PubChem (CID 57312696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).