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

C15H20ClN3 — CID 103009058

IUPAC1-(3-chlorophenyl)-N-methyl-4-(2-methylpyrazol-3-yl)butan-2-amine
SMILESCNC(CCc1ccnn1C)Cc1cccc(Cl)c1
InChIInChI=1S/C15H20ClN3/c1-17-14(6-7-15-8-9-18-19(15)2)11-12-4-3-5-13(16)10-12/h3-5,8-10,14,17H,6-7,11H2,1-2H3
InChIKeyWZQRPRPGXFGMCC-UHFFFAOYSA-N
MW277.80 g/mol
LogP2.84
Rot. Bonds6

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

1-(3-chlorophenyl)-N-methyl-4-(2-methylpyrazol-3-yl)butan-2-amine (PubChem CID 103009058) has the molecular formula C15H20ClN3 and a molecular weight of 277.80 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-methyl-4-(2-methylpyrazol-3-yl)butan-2-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-methyl-4-(2-methylpyrazol-3-yl)butan-2-amine
PubChem CID103009058
Molecular FormulaC15H20ClN3
Molecular Weight277.80 g/mol
Exact Mass277.13
IUPAC Name1-(3-chlorophenyl)-N-methyl-4-(2-methylpyrazol-3-yl)butan-2-amine
SMILESCNC(CCc1ccnn1C)Cc1cccc(Cl)c1
InChIInChI=1S/C15H20ClN3/c1-17-14(6-7-15-8-9-18-19(15)2)11-12-4-3-5-13(16)10-12/h3-5,8-10,14,17H,6-7,11H2,1-2H3
InChIKeyWZQRPRPGXFGMCC-UHFFFAOYSA-N
XLogP2.84
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 ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-difluorophenyl)-N-methyl-4-(2-methylpyrazol-3-yl)butan-2-amine
CID 103031007
1-(3-chlorophenoxy)-N-methyl-4-(2-methylpyrazol-3-yl)butan-2-amine
CID 103030418
N-ethyl-1-(3-fluorophenyl)-4-(2-methylpyrazol-3-yl)butan-2-amine
CID 103009449
1-(3-chlorophenyl)-3-(4-chlorophenyl)-N-methylpropan-2-amine
CID 60820361
N-methyl-4-(2-methylpyrazol-3-yl)-1-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine
CID 103030452
[1-(2,6-dichlorophenyl)-4-(2-methylpyrazol-3-yl)butan-2-yl]hydrazine
CID 103026695
1-(3-chlorophenyl)-N-methyldodecan-2-amine
CID 63412373
1-(2,6-dichlorophenyl)-N-ethyl-4-(2-methylpyrazol-3-yl)butan-2-amine
CID 103009693
2-(3-chlorophenyl)-N-ethyl-4-(2-methylpyrazol-3-yl)butan-1-amine
CID 103014703
2-[(3-fluorophenyl)methyl]-N-methyl-4-(2-methylpyrazol-3-yl)butan-1-amine
CID 103014372
N,5-dimethyl-1-(2-methylpyrazol-3-yl)heptan-3-amine
CID 103030518
1-(3-chlorophenyl)-N,5-dimethylhex-5-en-2-amine
CID 114474158

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-methyl-4-(2-methylpyrazol-3-yl)butan-2-amine?
The IUPAC name of 1-(3-chlorophenyl)-N-methyl-4-(2-methylpyrazol-3-yl)butan-2-amine (CID 103009058) is 1-(3-chlorophenyl)-N-methyl-4-(2-methylpyrazol-3-yl)butan-2-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-N-methyl-4-(2-methylpyrazol-3-yl)butan-2-amine?
The canonical SMILES for 1-(3-chlorophenyl)-N-methyl-4-(2-methylpyrazol-3-yl)butan-2-amine is CNC(CCc1ccnn1C)Cc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N-methyl-4-(2-methylpyrazol-3-yl)butan-2-amine?
The InChIKey is WZQRPRPGXFGMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3/c1-17-14(6-7-15-8-9-18-19(15)2)11-12-4-3-5-13(16)10-12/h3-5,8-10,14,17H,6-7,11H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-N-methyl-4-(2-methylpyrazol-3-yl)butan-2-amine?
1-(3-chlorophenyl)-N-methyl-4-(2-methylpyrazol-3-yl)butan-2-amine has a molecular weight of 277.80 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-methyl-4-(2-methylpyrazol-3-yl)butan-2-amine is sourced from PubChem (CID 103009058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).