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

C15H20ClN3 — CID 79492888

IUPACN-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cn(C)nc1-c1cccc(Cl)c1
InChIInChI=1S/C15H20ClN3/c1-11(2)8-17-9-13-10-19(3)18-15(13)12-5-4-6-14(16)7-12/h4-7,10-11,17H,8-9H2,1-3H3
InChIKeyOZZOCACGUZVVGO-UHFFFAOYSA-N
MW277.80 g/mol
LogP3.49
Rot. Bonds5

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

N-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]-2-methylpropan-1-amine (PubChem CID 79492888) has the molecular formula C15H20ClN3 and a molecular weight of 277.80 g/mol. Its IUPAC name is N-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]-2-methylpropan-1-amine
PubChem CID79492888
Molecular FormulaC15H20ClN3
Molecular Weight277.80 g/mol
Exact Mass277.13
IUPAC NameN-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cn(C)nc1-c1cccc(Cl)c1
InChIInChI=1S/C15H20ClN3/c1-11(2)8-17-9-13-10-19(3)18-15(13)12-5-4-6-14(16)7-12/h4-7,10-11,17H,8-9H2,1-3H3
InChIKeyOZZOCACGUZVVGO-UHFFFAOYSA-N
XLogP3.49
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]-2-methylpropan-1-amine (CID 79492888) is N-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1cn(C)nc1-c1cccc(Cl)c1.
What is the InChIKey of N-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is OZZOCACGUZVVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3/c1-11(2)8-17-9-13-10-19(3)18-15(13)12-5-4-6-14(16)7-12/h4-7,10-11,17H,8-9H2,1-3H3.
What are the key properties of N-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]-2-methylpropan-1-amine?
N-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 277.80 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 79492888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).