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

C11H10FN3O2 — CID 140701373

IUPAC(5-amino-3-fluoropyrazol-1-yl)-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)n1nc(F)cc1N
InChIInChI=1S/C11H10FN3O2/c1-17-8-5-3-2-4-7(8)11(16)15-10(13)6-9(12)14-15/h2-6H,13H2,1H3
InChIKeyBKGJPWBSMDVIQV-UHFFFAOYSA-N
MW235.22 g/mol
LogP1.30
Rot. Bonds2

About (5-amino-3-fluoropyrazol-1-yl)-(2-methoxyphenyl)methanone

(5-amino-3-fluoropyrazol-1-yl)-(2-methoxyphenyl)methanone (PubChem CID 140701373) has the molecular formula C11H10FN3O2 and a molecular weight of 235.22 g/mol. Its IUPAC name is (5-amino-3-fluoropyrazol-1-yl)-(2-methoxyphenyl)methanone.

Molecular Properties

Compound Name(5-amino-3-fluoropyrazol-1-yl)-(2-methoxyphenyl)methanone
PubChem CID140701373
Molecular FormulaC11H10FN3O2
Molecular Weight235.22 g/mol
Exact Mass235.08
IUPAC Name(5-amino-3-fluoropyrazol-1-yl)-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)n1nc(F)cc1N
InChIInChI=1S/C11H10FN3O2/c1-17-8-5-3-2-4-7(8)11(16)15-10(13)6-9(12)14-15/h2-6H,13H2,1H3
InChIKeyBKGJPWBSMDVIQV-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

(3-amino-4-fluoropyrazol-1-yl)-(2-methoxyphenyl)methanone
CID 140701374
(5-amino-3-methylpyrazol-1-yl)-(2-aminophenyl)methanone
CID 110465642
(3-amino-7,7-dimethyl-6,8-dihydro-5H-pyrazolo[5,4-b]quinolin-1-yl)-(2-methoxyphenyl)methanone
CID 169227035
2-amino-1-[1-(2-methoxybenzoyl)indazol-3-yl]ethanone
CID 141242796
(2-fluorophenyl) 2-methoxybenzoate
CID 91714946
(5-amino-3-tert-butylpyrazol-1-yl)-(2-chlorophenyl)methanone
CID 110472979
(7-amino-2,3-dihydro-1,4-benzodiazepin-1-yl)-(2-methoxyphenyl)methanone
CID 91673348
[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 110814937
2-[4-(2-methoxybenzoyl)piperazin-1-yl]-2-oxoacetamide
CID 68776678
(2-methoxyphenyl)-(2,4,6-trifluorophenyl)methanone
CID 43338564
1,3-bis(2-methoxyphenyl)propane-1,3-dione
CID 15664665
CID 135043978
CID 135043978

Frequently Asked Questions

What is the IUPAC name of (5-amino-3-fluoropyrazol-1-yl)-(2-methoxyphenyl)methanone?
The IUPAC name of (5-amino-3-fluoropyrazol-1-yl)-(2-methoxyphenyl)methanone (CID 140701373) is (5-amino-3-fluoropyrazol-1-yl)-(2-methoxyphenyl)methanone.
What is the SMILES notation for (5-amino-3-fluoropyrazol-1-yl)-(2-methoxyphenyl)methanone?
The canonical SMILES for (5-amino-3-fluoropyrazol-1-yl)-(2-methoxyphenyl)methanone is COc1ccccc1C(=O)n1nc(F)cc1N.
What is the InChIKey of (5-amino-3-fluoropyrazol-1-yl)-(2-methoxyphenyl)methanone?
The InChIKey is BKGJPWBSMDVIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O2/c1-17-8-5-3-2-4-7(8)11(16)15-10(13)6-9(12)14-15/h2-6H,13H2,1H3.
What are the key properties of (5-amino-3-fluoropyrazol-1-yl)-(2-methoxyphenyl)methanone?
(5-amino-3-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 (5-amino-3-fluoropyrazol-1-yl)-(2-methoxyphenyl)methanone is sourced from PubChem (CID 140701373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).