(3-amino-4-fluoropyrazol-1-yl)-(2-methoxyphenyl)methanone

C11H10FN3O2 — CID 140701374

IUPAC(3-amino-4-fluoropyrazol-1-yl)-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)n1cc(F)c(N)n1
InChIInChI=1S/C11H10FN3O2/c1-17-9-5-3-2-4-7(9)11(16)15-6-8(12)10(13)14-15/h2-6H,1H3,(H2,13,14)
InChIKeyCPRCFISKZPJPIP-UHFFFAOYSA-N
MW235.22 g/mol
LogP1.30
Rot. Bonds2

About (3-amino-4-fluoropyrazol-1-yl)-(2-methoxyphenyl)methanone

(3-amino-4-fluoropyrazol-1-yl)-(2-methoxyphenyl)methanone (PubChem CID 140701374) has the molecular formula C11H10FN3O2 and a molecular weight of 235.22 g/mol. Its IUPAC name is (3-amino-4-fluoropyrazol-1-yl)-(2-methoxyphenyl)methanone.

Molecular Properties

Compound Name(3-amino-4-fluoropyrazol-1-yl)-(2-methoxyphenyl)methanone
PubChem CID140701374
Molecular FormulaC11H10FN3O2
Molecular Weight235.22 g/mol
Exact Mass235.08
IUPAC Name(3-amino-4-fluoropyrazol-1-yl)-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)n1cc(F)c(N)n1
InChIInChI=1S/C11H10FN3O2/c1-17-9-5-3-2-4-7(9)11(16)15-6-8(12)10(13)14-15/h2-6H,1H3,(H2,13,14)
InChIKeyCPRCFISKZPJPIP-UHFFFAOYSA-N
XLogP1.30
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.22
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-amino-3-fluoropyrazol-1-yl)-(2-methoxyphenyl)methanone
CID 140701373
2-fluoro-1-(2-methoxyphenyl)ethanone
CID 11816076
(2-fluorophenyl) 2-methoxybenzoate
CID 91714946
[1-(2-aminoethyl)triazol-4-yl]-(2-methoxyphenyl)methanone
CID 116583269
bis(2-fluoro-3-methoxyphenyl)methanone
CID 70479796
1-(2-methoxybenzoyl)indole-3-carboxamide
CID 91690536
2-(2,6-difluorophenoxy)-1-(2-methoxyphenyl)ethanone
CID 78908110
2-[4-(2-methoxybenzoyl)piperazin-1-yl]-2-oxoacetamide
CID 68776678
(4-chloro-2,5-difluorophenyl)-(2-methoxyphenyl)methanone
CID 114962814
(2-methoxyphenyl)-(2,4,6-trifluorophenyl)methanone
CID 43338564
(3-amino-2-methylphenyl)-(2-methoxyphenyl)methanone
CID 82044477
1,3-bis(2-methoxyphenyl)propane-1,3-dione
CID 15664665

Frequently Asked Questions

What is the IUPAC name of (3-amino-4-fluoropyrazol-1-yl)-(2-methoxyphenyl)methanone?
The IUPAC name of (3-amino-4-fluoropyrazol-1-yl)-(2-methoxyphenyl)methanone (CID 140701374) is (3-amino-4-fluoropyrazol-1-yl)-(2-methoxyphenyl)methanone.
What is the SMILES notation for (3-amino-4-fluoropyrazol-1-yl)-(2-methoxyphenyl)methanone?
The canonical SMILES for (3-amino-4-fluoropyrazol-1-yl)-(2-methoxyphenyl)methanone is COc1ccccc1C(=O)n1cc(F)c(N)n1.
What is the InChIKey of (3-amino-4-fluoropyrazol-1-yl)-(2-methoxyphenyl)methanone?
The InChIKey is CPRCFISKZPJPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O2/c1-17-9-5-3-2-4-7(9)11(16)15-6-8(12)10(13)14-15/h2-6H,1H3,(H2,13,14).
What are the key properties of (3-amino-4-fluoropyrazol-1-yl)-(2-methoxyphenyl)methanone?
(3-amino-4-fluoropyrazol-1-yl)-(2-methoxyphenyl)methanone has a molecular weight of 235.22 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-fluoropyrazol-1-yl)-(2-methoxyphenyl)methanone is sourced from PubChem (CID 140701374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).