N-[(5-fluoro-1-benzofuran-2-yl)methyl]-2-methylpyrazol-3-amine

C13H12FN3O — CID 71916691

IUPACN-[(5-fluoro-1-benzofuran-2-yl)methyl]-2-methylpyrazol-3-amine
SMILESCn1nccc1NCc1cc2cc(F)ccc2o1
InChIInChI=1S/C13H12FN3O/c1-17-13(4-5-16-17)15-8-11-7-9-6-10(14)2-3-12(9)18-11/h2-7,15H,8H2,1H3
InChIKeyPATFEBNSYJMFNU-UHFFFAOYSA-N
MW245.26 g/mol
LogP2.92
Rot. Bonds3

About N-[(5-fluoro-1-benzofuran-2-yl)methyl]-2-methylpyrazol-3-amine

N-[(5-fluoro-1-benzofuran-2-yl)methyl]-2-methylpyrazol-3-amine (PubChem CID 71916691) has the molecular formula C13H12FN3O and a molecular weight of 245.26 g/mol. Its IUPAC name is N-[(5-fluoro-1-benzofuran-2-yl)methyl]-2-methylpyrazol-3-amine.

Molecular Properties

Compound NameN-[(5-fluoro-1-benzofuran-2-yl)methyl]-2-methylpyrazol-3-amine
PubChem CID71916691
Molecular FormulaC13H12FN3O
Molecular Weight245.26 g/mol
Exact Mass245.10
IUPAC NameN-[(5-fluoro-1-benzofuran-2-yl)methyl]-2-methylpyrazol-3-amine
SMILESCn1nccc1NCc1cc2cc(F)ccc2o1
InChIInChI=1S/C13H12FN3O/c1-17-13(4-5-16-17)15-8-11-7-9-6-10(14)2-3-12(9)18-11/h2-7,15H,8H2,1H3
InChIKeyPATFEBNSYJMFNU-UHFFFAOYSA-N
XLogP2.92
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(4-fluorophenyl)methyl]-3-pyrazolyl]-5-methyl-2-furancarboxamide
CID 841204
[7-(1-Benzofuran-2-yl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 135843981
[5-(4-Fluorophenyl)furan-2-yl]methyl-[(2-pyrazol-1-ylpyridin-3-yl)methyl]azanium
CID 38052390
2-methoxy-N-(1-{1-[(5-methyl-2-furyl)methyl]-4-piperidinyl}-1H-pyrazol-5-yl)-2-phenylacetamide
CID 24790583
2-methyl-N-(1-{1-[(5-methyl-2-furyl)methyl]-4-piperidinyl}-1H-pyrazol-5-yl)benzamide
CID 24793147
(5R,7S)-N-[(4-fluorophenyl)methyl]-5-(5-methylfuran-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136234641
N-(1-{1-[(5-ethyl-2-furyl)methyl]-4-piperidinyl}-1H-pyrazol-5-yl)benzamide
CID 24817530
N-[2-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide
CID 24819211
N-(1-methylpyrazol-3-yl)-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide
CID 17455171
N-(1-{1-[(5-ethyl-2-furyl)methyl]-4-piperidinyl}-1H-pyrazol-5-yl)-2-phenylacetamide
CID 24790300
N-(1-{1-[(5-ethyl-2-furyl)methyl]-4-piperidinyl}-1H-pyrazol-5-yl)-2-methoxybenzamide
CID 25369509
N-(2-(5-(2-fluorobenzyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl)benzofuran-2-carboxamide
CID 42391364

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-1-benzofuran-2-yl)methyl]-2-methylpyrazol-3-amine?
The IUPAC name of N-[(5-fluoro-1-benzofuran-2-yl)methyl]-2-methylpyrazol-3-amine (CID 71916691) is N-[(5-fluoro-1-benzofuran-2-yl)methyl]-2-methylpyrazol-3-amine.
What is the SMILES notation for N-[(5-fluoro-1-benzofuran-2-yl)methyl]-2-methylpyrazol-3-amine?
The canonical SMILES for N-[(5-fluoro-1-benzofuran-2-yl)methyl]-2-methylpyrazol-3-amine is Cn1nccc1NCc1cc2cc(F)ccc2o1.
What is the InChIKey of N-[(5-fluoro-1-benzofuran-2-yl)methyl]-2-methylpyrazol-3-amine?
The InChIKey is PATFEBNSYJMFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O/c1-17-13(4-5-16-17)15-8-11-7-9-6-10(14)2-3-12(9)18-11/h2-7,15H,8H2,1H3.
What are the key properties of N-[(5-fluoro-1-benzofuran-2-yl)methyl]-2-methylpyrazol-3-amine?
N-[(5-fluoro-1-benzofuran-2-yl)methyl]-2-methylpyrazol-3-amine has a molecular weight of 245.26 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-1-benzofuran-2-yl)methyl]-2-methylpyrazol-3-amine is sourced from PubChem (CID 71916691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).