N-[(3-chloro-5-methylphenyl)-(2-propylpyrazol-3-yl)methyl]ethanamine

C16H22ClN3 — CID 115857326

IUPACN-[(3-chloro-5-methylphenyl)-(2-propylpyrazol-3-yl)methyl]ethanamine
SMILESCCCn1nccc1C(NCC)c1cc(C)cc(Cl)c1
InChIInChI=1S/C16H22ClN3/c1-4-8-20-15(6-7-19-20)16(18-5-2)13-9-12(3)10-14(17)11-13/h6-7,9-11,16,18H,4-5,8H2,1-3H3
InChIKeyZBGJVLVLAOKXIL-UHFFFAOYSA-N
MW291.83 g/mol
LogP3.95
Rot. Bonds6

About N-[(3-chloro-5-methylphenyl)-(2-propylpyrazol-3-yl)methyl]ethanamine

N-[(3-chloro-5-methylphenyl)-(2-propylpyrazol-3-yl)methyl]ethanamine (PubChem CID 115857326) has the molecular formula C16H22ClN3 and a molecular weight of 291.83 g/mol. Its IUPAC name is N-[(3-chloro-5-methylphenyl)-(2-propylpyrazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-chloro-5-methylphenyl)-(2-propylpyrazol-3-yl)methyl]ethanamine
PubChem CID115857326
Molecular FormulaC16H22ClN3
Molecular Weight291.83 g/mol
Exact Mass291.15
IUPAC NameN-[(3-chloro-5-methylphenyl)-(2-propylpyrazol-3-yl)methyl]ethanamine
SMILESCCCn1nccc1C(NCC)c1cc(C)cc(Cl)c1
InChIInChI=1S/C16H22ClN3/c1-4-8-20-15(6-7-19-20)16(18-5-2)13-9-12(3)10-14(17)11-13/h6-7,9-11,16,18H,4-5,8H2,1-3H3
InChIKeyZBGJVLVLAOKXIL-UHFFFAOYSA-N
XLogP3.95
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.83
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3-chloro-5-methylphenyl)-(2-propylpyrazol-3-yl)methyl]ethanamine with MolForge

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Related Compounds

1-(3,5-dimethylphenyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine
CID 115857365
N-[(3-chloro-5-methylphenyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 115858459
N-[(3,5-dimethylphenyl)-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 115858831
N-[(3-chloro-4-methylphenyl)-(2-ethylpyrazol-3-yl)methyl]ethanamine
CID 115858232
N-[(3-fluoro-4-methoxyphenyl)-(2-propylpyrazol-3-yl)methyl]ethanamine
CID 115857575
N-[(3,5-dimethylphenyl)-(3-propyltriazol-4-yl)methyl]ethanamine
CID 105038920
N-[(1,3-dimethylpyrazol-4-yl)-(2-propylpyrazol-3-yl)methyl]ethanamine
CID 102803704
N-[(3-chloro-4-methylphenyl)-(3-chloro-5-methylphenyl)methyl]ethanamine
CID 107562129
N-[(4,5-dibromothiophen-2-yl)-(2-propylpyrazol-3-yl)methyl]ethanamine
CID 115857741
1-(4-bromo-3,5-dimethylphenyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine
CID 114330568
N-[(2-ethylphenyl)-(2-propylpyrazol-3-yl)methyl]ethanamine
CID 115857601
N-[(4-bromo-1-propylpyrazol-5-yl)-(3,5-dichlorophenyl)methyl]ethanamine
CID 105041382

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-5-methylphenyl)-(2-propylpyrazol-3-yl)methyl]ethanamine?
The IUPAC name of N-[(3-chloro-5-methylphenyl)-(2-propylpyrazol-3-yl)methyl]ethanamine (CID 115857326) is N-[(3-chloro-5-methylphenyl)-(2-propylpyrazol-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3-chloro-5-methylphenyl)-(2-propylpyrazol-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(3-chloro-5-methylphenyl)-(2-propylpyrazol-3-yl)methyl]ethanamine is CCCn1nccc1C(NCC)c1cc(C)cc(Cl)c1.
What is the InChIKey of N-[(3-chloro-5-methylphenyl)-(2-propylpyrazol-3-yl)methyl]ethanamine?
The InChIKey is ZBGJVLVLAOKXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3/c1-4-8-20-15(6-7-19-20)16(18-5-2)13-9-12(3)10-14(17)11-13/h6-7,9-11,16,18H,4-5,8H2,1-3H3.
What are the key properties of N-[(3-chloro-5-methylphenyl)-(2-propylpyrazol-3-yl)methyl]ethanamine?
N-[(3-chloro-5-methylphenyl)-(2-propylpyrazol-3-yl)methyl]ethanamine has a molecular weight of 291.83 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-5-methylphenyl)-(2-propylpyrazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 115857326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).