N-[(4-chloro-1-methylpyrazol-5-yl)-(1,3-dihydro-2-benzofuran-5-yl)methyl]propan-1-amine

C16H20ClN3O — CID 105046701

IUPACN-[(4-chloro-1-methylpyrazol-5-yl)-(1,3-dihydro-2-benzofuran-5-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc2c(c1)COC2)c1c(Cl)cnn1C
InChIInChI=1S/C16H20ClN3O/c1-3-6-18-15(16-14(17)8-19-20(16)2)11-4-5-12-9-21-10-13(12)7-11/h4-5,7-8,15,18H,3,6,9-10H2,1-2H3
InChIKeyCHZSCSQKZOEIQX-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.19
Rot. Bonds5

About N-[(4-chloro-1-methylpyrazol-5-yl)-(1,3-dihydro-2-benzofuran-5-yl)methyl]propan-1-amine

N-[(4-chloro-1-methylpyrazol-5-yl)-(1,3-dihydro-2-benzofuran-5-yl)methyl]propan-1-amine (PubChem CID 105046701) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is N-[(4-chloro-1-methylpyrazol-5-yl)-(1,3-dihydro-2-benzofuran-5-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-chloro-1-methylpyrazol-5-yl)-(1,3-dihydro-2-benzofuran-5-yl)methyl]propan-1-amine
PubChem CID105046701
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC NameN-[(4-chloro-1-methylpyrazol-5-yl)-(1,3-dihydro-2-benzofuran-5-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc2c(c1)COC2)c1c(Cl)cnn1C
InChIInChI=1S/C16H20ClN3O/c1-3-6-18-15(16-14(17)8-19-20(16)2)11-4-5-12-9-21-10-13(12)7-11/h4-5,7-8,15,18H,3,6,9-10H2,1-2H3
InChIKeyCHZSCSQKZOEIQX-UHFFFAOYSA-N
XLogP3.19
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(4-chloro-1-methylpyrazol-5-yl)-(1,3-dihydro-2-benzofuran-5-yl)methyl]propan-1-amine with MolForge

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Related Compounds

N-[(4-bromo-1-methylpyrazol-5-yl)-(1,3-dihydro-2-benzofuran-5-yl)methyl]ethanamine
CID 105054277
N-[(4-chloro-1-methylpyrazol-5-yl)-pyridin-4-ylmethyl]propan-1-amine
CID 114647242
[(4-chloro-1-propylpyrazol-5-yl)-(1,3-dihydro-2-benzofuran-5-yl)methyl]hydrazine
CID 105337137
N-[(4-chloro-1-methylpyrazol-5-yl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methyl]propan-1-amine
CID 105046465
N-[(2-chlorofuran-3-yl)-(4-chloro-1-methylpyrazol-5-yl)methyl]propan-1-amine
CID 106693217
N-[1,3-dihydro-2-benzofuran-5-yl-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 105006538
N-[(4-chloro-1-methylpyrazol-5-yl)-(2-chlorophenyl)methyl]propan-1-amine
CID 114649321
[(4-chloro-1-methylpyrazol-5-yl)-(2,3-dihydro-1H-inden-5-yl)methyl]hydrazine
CID 105338870
N-[(5-chloro-2-methylphenyl)-(4-chloro-1-methylpyrazol-5-yl)methyl]propan-1-amine
CID 105046381
N-[cyclohexen-1-yl(1,3-dihydro-2-benzofuran-5-yl)methyl]propan-1-amine
CID 63733717
N-[(4-bromo-1-methylpyrazol-5-yl)-(3-chloro-4-iodophenyl)methyl]propan-1-amine
CID 103216485
N-[1,3-dihydro-2-benzofuran-5-yl(thiophen-2-yl)methyl]propan-1-amine
CID 63020418

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-1-methylpyrazol-5-yl)-(1,3-dihydro-2-benzofuran-5-yl)methyl]propan-1-amine?
The IUPAC name of N-[(4-chloro-1-methylpyrazol-5-yl)-(1,3-dihydro-2-benzofuran-5-yl)methyl]propan-1-amine (CID 105046701) is N-[(4-chloro-1-methylpyrazol-5-yl)-(1,3-dihydro-2-benzofuran-5-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-chloro-1-methylpyrazol-5-yl)-(1,3-dihydro-2-benzofuran-5-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-chloro-1-methylpyrazol-5-yl)-(1,3-dihydro-2-benzofuran-5-yl)methyl]propan-1-amine is CCCNC(c1ccc2c(c1)COC2)c1c(Cl)cnn1C.
What is the InChIKey of N-[(4-chloro-1-methylpyrazol-5-yl)-(1,3-dihydro-2-benzofuran-5-yl)methyl]propan-1-amine?
The InChIKey is CHZSCSQKZOEIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-3-6-18-15(16-14(17)8-19-20(16)2)11-4-5-12-9-21-10-13(12)7-11/h4-5,7-8,15,18H,3,6,9-10H2,1-2H3.
What are the key properties of N-[(4-chloro-1-methylpyrazol-5-yl)-(1,3-dihydro-2-benzofuran-5-yl)methyl]propan-1-amine?
N-[(4-chloro-1-methylpyrazol-5-yl)-(1,3-dihydro-2-benzofuran-5-yl)methyl]propan-1-amine has a molecular weight of 305.81 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-1-methylpyrazol-5-yl)-(1,3-dihydro-2-benzofuran-5-yl)methyl]propan-1-amine is sourced from PubChem (CID 105046701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).