2-[(2-chlorophenyl)methyl]-4-(2-methylpyrazol-3-yl)butan-1-amine

C15H20ClN3 — CID 103014266

IUPAC2-[(2-chlorophenyl)methyl]-4-(2-methylpyrazol-3-yl)butan-1-amine
SMILESCn1nccc1CCC(CN)Cc1ccccc1Cl
InChIInChI=1S/C15H20ClN3/c1-19-14(8-9-18-19)7-6-12(11-17)10-13-4-2-3-5-15(13)16/h2-5,8-9,12H,6-7,10-11,17H2,1H3
InChIKeyMSWAGRHZRKPUOM-UHFFFAOYSA-N
MW277.80 g/mol
LogP2.82
Rot. Bonds6

About 2-[(2-chlorophenyl)methyl]-4-(2-methylpyrazol-3-yl)butan-1-amine

2-[(2-chlorophenyl)methyl]-4-(2-methylpyrazol-3-yl)butan-1-amine (PubChem CID 103014266) has the molecular formula C15H20ClN3 and a molecular weight of 277.80 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl]-4-(2-methylpyrazol-3-yl)butan-1-amine.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl]-4-(2-methylpyrazol-3-yl)butan-1-amine
PubChem CID103014266
Molecular FormulaC15H20ClN3
Molecular Weight277.80 g/mol
Exact Mass277.13
IUPAC Name2-[(2-chlorophenyl)methyl]-4-(2-methylpyrazol-3-yl)butan-1-amine
SMILESCn1nccc1CCC(CN)Cc1ccccc1Cl
InChIInChI=1S/C15H20ClN3/c1-19-14(8-9-18-19)7-6-12(11-17)10-13-4-2-3-5-15(13)16/h2-5,8-9,12H,6-7,10-11,17H2,1H3
InChIKeyMSWAGRHZRKPUOM-UHFFFAOYSA-N
XLogP2.82
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-chlorophenyl)methyl]-4-thiophen-2-ylbutan-1-amine
CID 63774826
5-[3-(bromomethyl)-4-(2-methoxyphenyl)butyl]-1-methylpyrazole
CID 103018527
[1-(2,6-dichlorophenyl)-4-(2-methylpyrazol-3-yl)butan-2-yl]hydrazine
CID 103026695
2-[(2-chlorophenyl)methyl]-6-methylheptan-1-amine
CID 83169265
2-[(2-chlorophenyl)methyl]heptan-1-amine
CID 63497774
5-[4-bromo-3-(bromomethyl)butyl]-1-methylpyrazole
CID 103019011
5-[3-(chloromethyl)-4-(4-chlorophenyl)butyl]-1-methylpyrazole
CID 103018288
2-(2-chlorophenyl)-N-methyl-4-(2-methylpyrazol-3-yl)butan-1-amine
CID 103014738
1-(3-chloro-2-fluorophenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103010352
2-[(2-chlorophenyl)methyl]-3-(4-ethylphenyl)propan-1-amine
CID 63496346
5-(3-chlorobutyl)-1-methylpyrazole
CID 64514221
1-(4-chlorophenyl)-4-(2-methylpyrazol-3-yl)butan-2-amine
CID 103008961

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl]-4-(2-methylpyrazol-3-yl)butan-1-amine?
The IUPAC name of 2-[(2-chlorophenyl)methyl]-4-(2-methylpyrazol-3-yl)butan-1-amine (CID 103014266) is 2-[(2-chlorophenyl)methyl]-4-(2-methylpyrazol-3-yl)butan-1-amine.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl]-4-(2-methylpyrazol-3-yl)butan-1-amine?
The canonical SMILES for 2-[(2-chlorophenyl)methyl]-4-(2-methylpyrazol-3-yl)butan-1-amine is Cn1nccc1CCC(CN)Cc1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorophenyl)methyl]-4-(2-methylpyrazol-3-yl)butan-1-amine?
The InChIKey is MSWAGRHZRKPUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3/c1-19-14(8-9-18-19)7-6-12(11-17)10-13-4-2-3-5-15(13)16/h2-5,8-9,12H,6-7,10-11,17H2,1H3.
What are the key properties of 2-[(2-chlorophenyl)methyl]-4-(2-methylpyrazol-3-yl)butan-1-amine?
2-[(2-chlorophenyl)methyl]-4-(2-methylpyrazol-3-yl)butan-1-amine has a molecular weight of 277.80 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl]-4-(2-methylpyrazol-3-yl)butan-1-amine is sourced from PubChem (CID 103014266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).