1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(2-methyl-1-benzofuran-3-yl)methyl]methanamine

C17H21N3O — CID 167842382

IUPAC1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(2-methyl-1-benzofuran-3-yl)methyl]methanamine
SMILESCCn1cc(CNCc2c(C)oc3ccccc23)c(C)n1
InChIInChI=1S/C17H21N3O/c1-4-20-11-14(12(2)19-20)9-18-10-16-13(3)21-17-8-6-5-7-15(16)17/h5-8,11,18H,4,9-10H2,1-3H3
InChIKeyMDQRKWGWQBHHMF-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.56
Rot. Bonds5

About 1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(2-methyl-1-benzofuran-3-yl)methyl]methanamine

1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(2-methyl-1-benzofuran-3-yl)methyl]methanamine (PubChem CID 167842382) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(2-methyl-1-benzofuran-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(2-methyl-1-benzofuran-3-yl)methyl]methanamine
PubChem CID167842382
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(2-methyl-1-benzofuran-3-yl)methyl]methanamine
SMILESCCn1cc(CNCc2c(C)oc3ccccc23)c(C)n1
InChIInChI=1S/C17H21N3O/c1-4-20-11-14(12(2)19-20)9-18-10-16-13(3)21-17-8-6-5-7-15(16)17/h5-8,11,18H,4,9-10H2,1-3H3
InChIKeyMDQRKWGWQBHHMF-UHFFFAOYSA-N
XLogP3.56
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-phenylmethanamine;hydrochloride
CID 126963926
N-[(2-methyl-1-benzofuran-3-yl)methyl]-1-(4-methyl-3-pyridinyl)methanamine
CID 114955011
N-[(3-ethyl-2-pyridinyl)methyl]-1-(2-methyl-1-benzofuran-3-yl)methanamine
CID 82731871
1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]methanamine;hydrochloride
CID 126965255
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]aniline
CID 19614682
[4-[[(2-methyl-1-benzofuran-3-yl)methylamino]methyl]phenyl]methanol
CID 107230098
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-phenylpropan-1-amine
CID 19626564
N-[(1-ethyl-5-fluoro-3-methylpyrazol-4-yl)methyl]-1-(1-ethyl-3-methylpyrazol-4-yl)methanamine;hydrochloride
CID 126963941
N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-1-(1-ethyl-3-methylpyrazol-4-yl)methanamine
CID 122169172
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-methylaniline
CID 19626104
N-[(2-methyl-1-benzofuran-3-yl)methyl]-1-(2-methylcyclopropyl)methanamine
CID 115774534
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(2-propylpyrazol-3-yl)methanamine;hydrochloride
CID 126965532

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(2-methyl-1-benzofuran-3-yl)methyl]methanamine?
The IUPAC name of 1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(2-methyl-1-benzofuran-3-yl)methyl]methanamine (CID 167842382) is 1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(2-methyl-1-benzofuran-3-yl)methyl]methanamine.
What is the SMILES notation for 1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(2-methyl-1-benzofuran-3-yl)methyl]methanamine?
The canonical SMILES for 1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(2-methyl-1-benzofuran-3-yl)methyl]methanamine is CCn1cc(CNCc2c(C)oc3ccccc23)c(C)n1.
What is the InChIKey of 1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(2-methyl-1-benzofuran-3-yl)methyl]methanamine?
The InChIKey is MDQRKWGWQBHHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-4-20-11-14(12(2)19-20)9-18-10-16-13(3)21-17-8-6-5-7-15(16)17/h5-8,11,18H,4,9-10H2,1-3H3.
What are the key properties of 1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(2-methyl-1-benzofuran-3-yl)methyl]methanamine?
1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(2-methyl-1-benzofuran-3-yl)methyl]methanamine has a molecular weight of 283.38 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(2-methyl-1-benzofuran-3-yl)methyl]methanamine is sourced from PubChem (CID 167842382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).