1-(3-chlorophenyl)-N-[1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine

C15H20ClN3 — CID 106757101

IUPAC1-(3-chlorophenyl)-N-[1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
SMILESCCC(NC(C)c1ccnn1C)c1cccc(Cl)c1
InChIInChI=1S/C15H20ClN3/c1-4-14(12-6-5-7-13(16)10-12)18-11(2)15-8-9-17-19(15)3/h5-11,14,18H,4H2,1-3H3
InChIKeyDWDCENNAUSMASZ-UHFFFAOYSA-N
MW277.80 g/mol
LogP3.88
Rot. Bonds5

About 1-(3-chlorophenyl)-N-[1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine

1-(3-chlorophenyl)-N-[1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine (PubChem CID 106757101) has the molecular formula C15H20ClN3 and a molecular weight of 277.80 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
PubChem CID106757101
Molecular FormulaC15H20ClN3
Molecular Weight277.80 g/mol
Exact Mass277.13
IUPAC Name1-(3-chlorophenyl)-N-[1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
SMILESCCC(NC(C)c1ccnn1C)c1cccc(Cl)c1
InChIInChI=1S/C15H20ClN3/c1-4-14(12-6-5-7-13(16)10-12)18-11(2)15-8-9-17-19(15)3/h5-11,14,18H,4H2,1-3H3
InChIKeyDWDCENNAUSMASZ-UHFFFAOYSA-N
XLogP3.88
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]propan-1-amine
CID 43103044
1-(3-chlorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 43674084
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-phenylpropan-1-amine
CID 81366125
1-(3-chlorophenyl)-N-[(1R)-1-pyridin-3-ylethyl]propan-1-amine
CID 79139531
1-(3-chlorophenyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]propan-1-amine
CID 81353113
(3-chlorophenyl)-(2-methylpyrazol-3-yl)methanamine
CID 63963062
1-(4-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]propan-1-amine
CID 43097661
N-[1-(3-chlorophenyl)propyl]-3-methylbutan-2-amine
CID 43131327
1-(3-chlorophenyl)-N-[1-(2,6-difluorophenyl)ethyl]propan-1-amine
CID 43674019
1-(3-chlorophenyl)-N-[(1S)-1-(3-fluorophenyl)ethyl]propan-1-amine
CID 81365780
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-(furan-2-yl)propan-1-amine
CID 81366262
N-[1-(3-chlorophenyl)propyl]-2-methylpentan-3-amine
CID 43779182

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine?
The IUPAC name of 1-(3-chlorophenyl)-N-[1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine (CID 106757101) is 1-(3-chlorophenyl)-N-[1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine?
The canonical SMILES for 1-(3-chlorophenyl)-N-[1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine is CCC(NC(C)c1ccnn1C)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N-[1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine?
The InChIKey is DWDCENNAUSMASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3/c1-4-14(12-6-5-7-13(16)10-12)18-11(2)15-8-9-17-19(15)3/h5-11,14,18H,4H2,1-3H3.
What are the key properties of 1-(3-chlorophenyl)-N-[1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine?
1-(3-chlorophenyl)-N-[1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine has a molecular weight of 277.80 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-[1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 106757101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).