1-(1-benzofuran-2-yl)-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine

C16H18ClN3O — CID 114651271

IUPAC1-(1-benzofuran-2-yl)-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine
SMILESCNC(c1cc2ccccc2o1)c1c(Cl)cnn1C(C)C
InChIInChI=1S/C16H18ClN3O/c1-10(2)20-16(12(17)9-19-20)15(18-3)14-8-11-6-4-5-7-13(11)21-14/h4-10,15,18H,1-3H3
InChIKeyZZIYZDHANXVIQO-UHFFFAOYSA-N
MW303.79 g/mol
LogP4.17
Rot. Bonds4

About 1-(1-benzofuran-2-yl)-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine

1-(1-benzofuran-2-yl)-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine (PubChem CID 114651271) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine
PubChem CID114651271
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name1-(1-benzofuran-2-yl)-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine
SMILESCNC(c1cc2ccccc2o1)c1c(Cl)cnn1C(C)C
InChIInChI=1S/C16H18ClN3O/c1-10(2)20-16(12(17)9-19-20)15(18-3)14-8-11-6-4-5-7-13(11)21-14/h4-10,15,18H,1-3H3
InChIKeyZZIYZDHANXVIQO-UHFFFAOYSA-N
XLogP4.17
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-benzofuran-2-yl)-1-(4-chloro-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 114651275
1-(1-benzofuran-2-yl)-1-(4-bromo-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 114651287
1-(3-bromophenyl)-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine
CID 114647378
1-(2-chloro-6-fluorophenyl)-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine
CID 105041930
1-(1-benzofuran-2-yl)-1-(3-chloro-2-methylphenyl)-N-methylmethanamine
CID 107103108
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine
CID 105041760
1-benzofuran-2-yl-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanol
CID 114635082
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-1-(2,5-dichlorothiophen-3-yl)-N-methylmethanamine
CID 107969110
1-(4-bromo-2-methylphenyl)-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine
CID 105041639
1-(2-bromo-5-methylphenyl)-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine
CID 105041667
1-(2-bromo-6-fluorophenyl)-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine
CID 114887114
1-(1-benzofuran-2-yl)-1-(4-methoxyphenyl)-N-methylmethanamine
CID 63091128

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine?
The IUPAC name of 1-(1-benzofuran-2-yl)-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine (CID 114651271) is 1-(1-benzofuran-2-yl)-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine?
The canonical SMILES for 1-(1-benzofuran-2-yl)-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine is CNC(c1cc2ccccc2o1)c1c(Cl)cnn1C(C)C.
What is the InChIKey of 1-(1-benzofuran-2-yl)-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine?
The InChIKey is ZZIYZDHANXVIQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-10(2)20-16(12(17)9-19-20)15(18-3)14-8-11-6-4-5-7-13(11)21-14/h4-10,15,18H,1-3H3.
What are the key properties of 1-(1-benzofuran-2-yl)-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine?
1-(1-benzofuran-2-yl)-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine has a molecular weight of 303.79 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine is sourced from PubChem (CID 114651271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).