1-(5-methylfuran-2-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine

C16H17N3O — CID 62524526

IUPAC1-(5-methylfuran-2-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine
SMILESCc1ccc(CNCc2cn[nH]c2-c2ccccc2)o1
InChIInChI=1S/C16H17N3O/c1-12-7-8-15(20-12)11-17-9-14-10-18-19-16(14)13-5-3-2-4-6-13/h2-8,10,17H,9,11H2,1H3,(H,18,19)
InChIKeyFBLSIQQTNKVOTL-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.27
Rot. Bonds5

About 1-(5-methylfuran-2-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine

1-(5-methylfuran-2-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine (PubChem CID 62524526) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-(5-methylfuran-2-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(5-methylfuran-2-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine
PubChem CID62524526
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name1-(5-methylfuran-2-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine
SMILESCc1ccc(CNCc2cn[nH]c2-c2ccccc2)o1
InChIInChI=1S/C16H17N3O/c1-12-7-8-15(20-12)11-17-9-14-10-18-19-16(14)13-5-3-2-4-6-13/h2-8,10,17H,9,11H2,1H3,(H,18,19)
InChIKeyFBLSIQQTNKVOTL-UHFFFAOYSA-N
XLogP3.27
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(4-ethylphenyl)-1H-pyrazol-4-yl]methyl]-1-(5-methylfuran-2-yl)methanamine
CID 126456890
1-(3-methyl-4-pyridinyl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine
CID 114699278
1-(6-methyl-2-pyridinyl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine
CID 60960570
1-(2-chlorophenyl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine
CID 60662974
1-[(5-phenyl-1H-pyrazol-4-yl)methylamino]propan-2-ol
CID 3969875
N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-pyridin-4-ylmethanamine
CID 60662763
1-(2-methylpyrimidin-4-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine
CID 60961241
2-ethyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]butan-1-amine
CID 115616849
2-ethylsulfonyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 103643047
N,N-dimethyl-2-[(5-phenyl-1H-pyrazol-4-yl)methylamino]acetamide
CID 60664694
4-[[(5-phenyl-1H-pyrazol-4-yl)methylamino]methyl]benzoic acid
CID 99796602
1-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]-3-phenylpropan-2-ol
CID 111104767

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylfuran-2-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(5-methylfuran-2-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine (CID 62524526) is 1-(5-methylfuran-2-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(5-methylfuran-2-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(5-methylfuran-2-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine is Cc1ccc(CNCc2cn[nH]c2-c2ccccc2)o1.
What is the InChIKey of 1-(5-methylfuran-2-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine?
The InChIKey is FBLSIQQTNKVOTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-12-7-8-15(20-12)11-17-9-14-10-18-19-16(14)13-5-3-2-4-6-13/h2-8,10,17H,9,11H2,1H3,(H,18,19).
What are the key properties of 1-(5-methylfuran-2-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine?
1-(5-methylfuran-2-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine has a molecular weight of 267.33 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylfuran-2-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine is sourced from PubChem (CID 62524526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).