N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-1-pyrazol-1-ylpropan-2-amine

C15H20ClN3O2 — CID 43435060

IUPACN-[(3-chloro-4,5-dimethoxyphenyl)methyl]-1-pyrazol-1-ylpropan-2-amine
SMILESCOc1cc(CNC(C)Cn2cccn2)cc(Cl)c1OC
InChIInChI=1S/C15H20ClN3O2/c1-11(10-19-6-4-5-18-19)17-9-12-7-13(16)15(21-3)14(8-12)20-2/h4-8,11,17H,9-10H2,1-3H3
InChIKeyPDXXWCGLOSHUTC-UHFFFAOYSA-N
MW309.80 g/mol
LogP2.73
Rot. Bonds7

About N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-1-pyrazol-1-ylpropan-2-amine

N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-1-pyrazol-1-ylpropan-2-amine (PubChem CID 43435060) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-1-pyrazol-1-ylpropan-2-amine.

Molecular Properties

Compound NameN-[(3-chloro-4,5-dimethoxyphenyl)methyl]-1-pyrazol-1-ylpropan-2-amine
PubChem CID43435060
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC NameN-[(3-chloro-4,5-dimethoxyphenyl)methyl]-1-pyrazol-1-ylpropan-2-amine
SMILESCOc1cc(CNC(C)Cn2cccn2)cc(Cl)c1OC
InChIInChI=1S/C15H20ClN3O2/c1-11(10-19-6-4-5-18-19)17-9-12-7-13(16)15(21-3)14(8-12)20-2/h4-8,11,17H,9-10H2,1-3H3
InChIKeyPDXXWCGLOSHUTC-UHFFFAOYSA-N
XLogP2.73
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-1-pyrazol-1-ylpropan-2-amine?
The IUPAC name of N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-1-pyrazol-1-ylpropan-2-amine (CID 43435060) is N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-1-pyrazol-1-ylpropan-2-amine.
What is the SMILES notation for N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-1-pyrazol-1-ylpropan-2-amine?
The canonical SMILES for N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-1-pyrazol-1-ylpropan-2-amine is COc1cc(CNC(C)Cn2cccn2)cc(Cl)c1OC.
What is the InChIKey of N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-1-pyrazol-1-ylpropan-2-amine?
The InChIKey is PDXXWCGLOSHUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O2/c1-11(10-19-6-4-5-18-19)17-9-12-7-13(16)15(21-3)14(8-12)20-2/h4-8,11,17H,9-10H2,1-3H3.
What are the key properties of N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-1-pyrazol-1-ylpropan-2-amine?
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-1-pyrazol-1-ylpropan-2-amine has a molecular weight of 309.80 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-1-pyrazol-1-ylpropan-2-amine is sourced from PubChem (CID 43435060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).