(5-amino-3-methylpyrazol-1-yl)-[1-(4-fluorophenyl)cyclopropyl]methanone

C14H14FN3O — CID 110464036

IUPAC(5-amino-3-methylpyrazol-1-yl)-[1-(4-fluorophenyl)cyclopropyl]methanone
SMILESCc1cc(N)n(C(=O)C2(c3ccc(F)cc3)CC2)n1
InChIInChI=1S/C14H14FN3O/c1-9-8-12(16)18(17-9)13(19)14(6-7-14)10-2-4-11(15)5-3-10/h2-5,8H,6-7,16H2,1H3
InChIKeyGIKFRLUSMMXCFF-UHFFFAOYSA-N
MW259.28 g/mol
LogP2.28
Rot. Bonds2

About (5-amino-3-methylpyrazol-1-yl)-[1-(4-fluorophenyl)cyclopropyl]methanone

(5-amino-3-methylpyrazol-1-yl)-[1-(4-fluorophenyl)cyclopropyl]methanone (PubChem CID 110464036) has the molecular formula C14H14FN3O and a molecular weight of 259.28 g/mol. Its IUPAC name is (5-amino-3-methylpyrazol-1-yl)-[1-(4-fluorophenyl)cyclopropyl]methanone.

Molecular Properties

Compound Name(5-amino-3-methylpyrazol-1-yl)-[1-(4-fluorophenyl)cyclopropyl]methanone
PubChem CID110464036
Molecular FormulaC14H14FN3O
Molecular Weight259.28 g/mol
Exact Mass259.11
IUPAC Name(5-amino-3-methylpyrazol-1-yl)-[1-(4-fluorophenyl)cyclopropyl]methanone
SMILESCc1cc(N)n(C(=O)C2(c3ccc(F)cc3)CC2)n1
InChIInChI=1S/C14H14FN3O/c1-9-8-12(16)18(17-9)13(19)14(6-7-14)10-2-4-11(15)5-3-10/h2-5,8H,6-7,16H2,1H3
InChIKeyGIKFRLUSMMXCFF-UHFFFAOYSA-N
XLogP2.28
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-amino-3-methylpyrazol-1-yl)-[1-(4-fluorophenyl)cyclopropyl]methanone?
The IUPAC name of (5-amino-3-methylpyrazol-1-yl)-[1-(4-fluorophenyl)cyclopropyl]methanone (CID 110464036) is (5-amino-3-methylpyrazol-1-yl)-[1-(4-fluorophenyl)cyclopropyl]methanone.
What is the SMILES notation for (5-amino-3-methylpyrazol-1-yl)-[1-(4-fluorophenyl)cyclopropyl]methanone?
The canonical SMILES for (5-amino-3-methylpyrazol-1-yl)-[1-(4-fluorophenyl)cyclopropyl]methanone is Cc1cc(N)n(C(=O)C2(c3ccc(F)cc3)CC2)n1.
What is the InChIKey of (5-amino-3-methylpyrazol-1-yl)-[1-(4-fluorophenyl)cyclopropyl]methanone?
The InChIKey is GIKFRLUSMMXCFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O/c1-9-8-12(16)18(17-9)13(19)14(6-7-14)10-2-4-11(15)5-3-10/h2-5,8H,6-7,16H2,1H3.
What are the key properties of (5-amino-3-methylpyrazol-1-yl)-[1-(4-fluorophenyl)cyclopropyl]methanone?
(5-amino-3-methylpyrazol-1-yl)-[1-(4-fluorophenyl)cyclopropyl]methanone has a molecular weight of 259.28 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-3-methylpyrazol-1-yl)-[1-(4-fluorophenyl)cyclopropyl]methanone is sourced from PubChem (CID 110464036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).