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

C15H20ClN3 — CID 103014738

IUPAC2-(2-chlorophenyl)-N-methyl-4-(2-methylpyrazol-3-yl)butan-1-amine
SMILESCNCC(CCc1ccnn1C)c1ccccc1Cl
InChIInChI=1S/C15H20ClN3/c1-17-11-12(14-5-3-4-6-15(14)16)7-8-13-9-10-18-19(13)2/h3-6,9-10,12,17H,7-8,11H2,1-2H3
InChIKeyMSKCCLXUJLQALV-UHFFFAOYSA-N
MW277.80 g/mol
LogP3.01
Rot. Bonds6

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

2-(2-chlorophenyl)-N-methyl-4-(2-methylpyrazol-3-yl)butan-1-amine (PubChem CID 103014738) has the molecular formula C15H20ClN3 and a molecular weight of 277.80 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-methyl-4-(2-methylpyrazol-3-yl)butan-1-amine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-methyl-4-(2-methylpyrazol-3-yl)butan-1-amine
PubChem CID103014738
Molecular FormulaC15H20ClN3
Molecular Weight277.80 g/mol
Exact Mass277.13
IUPAC Name2-(2-chlorophenyl)-N-methyl-4-(2-methylpyrazol-3-yl)butan-1-amine
SMILESCNCC(CCc1ccnn1C)c1ccccc1Cl
InChIInChI=1S/C15H20ClN3/c1-17-11-12(14-5-3-4-6-15(14)16)7-8-13-9-10-18-19(13)2/h3-6,9-10,12,17H,7-8,11H2,1-2H3
InChIKeyMSKCCLXUJLQALV-UHFFFAOYSA-N
XLogP3.01
TPSA29.85 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 ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-5-(2-methylpyrazol-3-yl)-2-phenylpentan-1-amine
CID 103019984
2-(2-fluorophenyl)-4-(2-methylpyrazol-3-yl)-N-propylbutan-1-amine
CID 103014722
2-(2-chlorophenyl)-N-methyl-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine
CID 79449278
N,3,3-trimethyl-2-[2-(2-methylpyrazol-3-yl)ethyl]butan-1-amine
CID 103014774
N-methyl-1-(2-methylphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103009289
1-(3-chloro-2-fluorophenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103010352
N,4-dimethyl-2-[2-(2-methylpyrazol-3-yl)ethyl]pentan-1-amine
CID 103014306
2-(3-chlorophenyl)-N-ethyl-4-(2-methylpyrazol-3-yl)butan-1-amine
CID 103014703
[1-(2,6-dichlorophenyl)-4-(2-methylpyrazol-3-yl)butan-2-yl]hydrazine
CID 103026695
2-[(2-chlorophenyl)methyl]-4-(2-methylpyrazol-3-yl)butan-1-amine
CID 103014266
5-(3-chlorobutyl)-1-methylpyrazole
CID 64514221
2-[(3-fluorophenyl)methyl]-N-methyl-4-(2-methylpyrazol-3-yl)butan-1-amine
CID 103014372

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-methyl-4-(2-methylpyrazol-3-yl)butan-1-amine?
The IUPAC name of 2-(2-chlorophenyl)-N-methyl-4-(2-methylpyrazol-3-yl)butan-1-amine (CID 103014738) is 2-(2-chlorophenyl)-N-methyl-4-(2-methylpyrazol-3-yl)butan-1-amine.
What is the SMILES notation for 2-(2-chlorophenyl)-N-methyl-4-(2-methylpyrazol-3-yl)butan-1-amine?
The canonical SMILES for 2-(2-chlorophenyl)-N-methyl-4-(2-methylpyrazol-3-yl)butan-1-amine is CNCC(CCc1ccnn1C)c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-N-methyl-4-(2-methylpyrazol-3-yl)butan-1-amine?
The InChIKey is MSKCCLXUJLQALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3/c1-17-11-12(14-5-3-4-6-15(14)16)7-8-13-9-10-18-19(13)2/h3-6,9-10,12,17H,7-8,11H2,1-2H3.
What are the key properties of 2-(2-chlorophenyl)-N-methyl-4-(2-methylpyrazol-3-yl)butan-1-amine?
2-(2-chlorophenyl)-N-methyl-4-(2-methylpyrazol-3-yl)butan-1-amine has a molecular weight of 277.80 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-methyl-4-(2-methylpyrazol-3-yl)butan-1-amine is sourced from PubChem (CID 103014738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).