3-[4-(2-chlorophenyl)-1-methylpyrazol-3-yl]-N-methylpropan-1-amine

C14H18ClN3 — CID 105423827

IUPAC3-[4-(2-chlorophenyl)-1-methylpyrazol-3-yl]-N-methylpropan-1-amine
SMILESCNCCCc1nn(C)cc1-c1ccccc1Cl
InChIInChI=1S/C14H18ClN3/c1-16-9-5-8-14-12(10-18(2)17-14)11-6-3-4-7-13(11)15/h3-4,6-7,10,16H,5,8-9H2,1-2H3
InChIKeyKFEYREAPEFZGEL-UHFFFAOYSA-N
MW263.77 g/mol
LogP2.89
Rot. Bonds5

About 3-[4-(2-chlorophenyl)-1-methylpyrazol-3-yl]-N-methylpropan-1-amine

3-[4-(2-chlorophenyl)-1-methylpyrazol-3-yl]-N-methylpropan-1-amine (PubChem CID 105423827) has the molecular formula C14H18ClN3 and a molecular weight of 263.77 g/mol. Its IUPAC name is 3-[4-(2-chlorophenyl)-1-methylpyrazol-3-yl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-[4-(2-chlorophenyl)-1-methylpyrazol-3-yl]-N-methylpropan-1-amine
PubChem CID105423827
Molecular FormulaC14H18ClN3
Molecular Weight263.77 g/mol
Exact Mass263.12
IUPAC Name3-[4-(2-chlorophenyl)-1-methylpyrazol-3-yl]-N-methylpropan-1-amine
SMILESCNCCCc1nn(C)cc1-c1ccccc1Cl
InChIInChI=1S/C14H18ClN3/c1-16-9-5-8-14-12(10-18(2)17-14)11-6-3-4-7-13(11)15/h3-4,6-7,10,16H,5,8-9H2,1-2H3
InChIKeyKFEYREAPEFZGEL-UHFFFAOYSA-N
XLogP2.89
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[4-(2-bromophenyl)-1-methylpyrazol-3-yl]-N-methylpropan-1-amine
CID 105424049
3-[4-(4-methoxyphenyl)-1-methylpyrazol-3-yl]-N-methylpropan-1-amine
CID 105423805
3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-methylpropan-1-amine
CID 115089531
3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
CID 62139450
3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-1-amine
CID 62098241
3-(7-chloro-1-methylindol-3-yl)-N-methylpropan-1-amine
CID 82496899
3-(2-chlorophenyl)-4-ethyl-1-methylpyrazole
CID 123288377
3-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-N-methylpropan-1-amine
CID 79225656
N-[[2-(1-methyl-3-propylpyrazol-4-yl)phenyl]methyl]propan-2-amine
CID 66010129
3-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-N-methylpropan-1-amine
CID 63276635
3-(4-chloro-1-methylpyrazol-3-yl)propan-1-amine
CID 55267157
N-methyl-3-(1-methylpyrazol-3-yl)propan-1-amine
CID 82877898

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-chlorophenyl)-1-methylpyrazol-3-yl]-N-methylpropan-1-amine?
The IUPAC name of 3-[4-(2-chlorophenyl)-1-methylpyrazol-3-yl]-N-methylpropan-1-amine (CID 105423827) is 3-[4-(2-chlorophenyl)-1-methylpyrazol-3-yl]-N-methylpropan-1-amine.
What is the SMILES notation for 3-[4-(2-chlorophenyl)-1-methylpyrazol-3-yl]-N-methylpropan-1-amine?
The canonical SMILES for 3-[4-(2-chlorophenyl)-1-methylpyrazol-3-yl]-N-methylpropan-1-amine is CNCCCc1nn(C)cc1-c1ccccc1Cl.
What is the InChIKey of 3-[4-(2-chlorophenyl)-1-methylpyrazol-3-yl]-N-methylpropan-1-amine?
The InChIKey is KFEYREAPEFZGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3/c1-16-9-5-8-14-12(10-18(2)17-14)11-6-3-4-7-13(11)15/h3-4,6-7,10,16H,5,8-9H2,1-2H3.
What are the key properties of 3-[4-(2-chlorophenyl)-1-methylpyrazol-3-yl]-N-methylpropan-1-amine?
3-[4-(2-chlorophenyl)-1-methylpyrazol-3-yl]-N-methylpropan-1-amine has a molecular weight of 263.77 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-chlorophenyl)-1-methylpyrazol-3-yl]-N-methylpropan-1-amine is sourced from PubChem (CID 105423827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).