N-[1-(3,4-dimethoxyphenyl)propyl]-1H-pyrazol-4-amine

C14H19N3O2 — CID 43539839

IUPACN-[1-(3,4-dimethoxyphenyl)propyl]-1H-pyrazol-4-amine
SMILESCCC(Nc1cn[nH]c1)c1ccc(OC)c(OC)c1
InChIInChI=1S/C14H19N3O2/c1-4-12(17-11-8-15-16-9-11)10-5-6-13(18-2)14(7-10)19-3/h5-9,12,17H,4H2,1-3H3,(H,15,16)
InChIKeyJTKWTOCLYUYEFG-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.99
Rot. Bonds6

About N-[1-(3,4-dimethoxyphenyl)propyl]-1H-pyrazol-4-amine

N-[1-(3,4-dimethoxyphenyl)propyl]-1H-pyrazol-4-amine (PubChem CID 43539839) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-[1-(3,4-dimethoxyphenyl)propyl]-1H-pyrazol-4-amine.

Molecular Properties

Compound NameN-[1-(3,4-dimethoxyphenyl)propyl]-1H-pyrazol-4-amine
PubChem CID43539839
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC NameN-[1-(3,4-dimethoxyphenyl)propyl]-1H-pyrazol-4-amine
SMILESCCC(Nc1cn[nH]c1)c1ccc(OC)c(OC)c1
InChIInChI=1S/C14H19N3O2/c1-4-12(17-11-8-15-16-9-11)10-5-6-13(18-2)14(7-10)19-3/h5-9,12,17H,4H2,1-3H3,(H,15,16)
InChIKeyJTKWTOCLYUYEFG-UHFFFAOYSA-N
XLogP2.99
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[1-(3,4-dimethoxyphenyl)propylamino]phenyl]ethanol
CID 110902643
1-(3,4-dimethoxyphenyl)-N-[2-(1H-imidazol-5-yl)ethyl]propan-1-amine
CID 65230792
1-(3,4-dimethoxyphenyl)-N-ethylpropan-1-amine
CID 43200497
3-chloro-N-[1-(3,4-dichlorophenyl)propyl]-4-methoxyaniline
CID 43758094
1-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)propan-1-amine
CID 43200660
1-(3,4-dimethoxyphenyl)-N-(pyridin-4-ylmethyl)propan-1-amine
CID 43204862
N-[1-(3,4-dimethoxyphenyl)propyl]-6-fluoropyridin-2-amine
CID 116812981
(1S)-1-(3,4-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)propan-1-amine
CID 948867
1-(3,4-dimethoxyphenyl)-N-(1H-imidazol-2-ylmethyl)propan-1-amine
CID 64546221
1-(3,4-dimethoxyphenyl)-N-propylbutan-1-amine
CID 43494599
1-(3,4-dimethoxyphenyl)-N-(2-methoxypropyl)propan-1-amine
CID 102696299
1-(3,4-dimethoxyphenyl)-N-[(3,4-dimethoxyphenyl)methyl]propan-1-amine
CID 57046449

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethoxyphenyl)propyl]-1H-pyrazol-4-amine?
The IUPAC name of N-[1-(3,4-dimethoxyphenyl)propyl]-1H-pyrazol-4-amine (CID 43539839) is N-[1-(3,4-dimethoxyphenyl)propyl]-1H-pyrazol-4-amine.
What is the SMILES notation for N-[1-(3,4-dimethoxyphenyl)propyl]-1H-pyrazol-4-amine?
The canonical SMILES for N-[1-(3,4-dimethoxyphenyl)propyl]-1H-pyrazol-4-amine is CCC(Nc1cn[nH]c1)c1ccc(OC)c(OC)c1.
What is the InChIKey of N-[1-(3,4-dimethoxyphenyl)propyl]-1H-pyrazol-4-amine?
The InChIKey is JTKWTOCLYUYEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-4-12(17-11-8-15-16-9-11)10-5-6-13(18-2)14(7-10)19-3/h5-9,12,17H,4H2,1-3H3,(H,15,16).
What are the key properties of N-[1-(3,4-dimethoxyphenyl)propyl]-1H-pyrazol-4-amine?
N-[1-(3,4-dimethoxyphenyl)propyl]-1H-pyrazol-4-amine has a molecular weight of 261.32 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethoxyphenyl)propyl]-1H-pyrazol-4-amine is sourced from PubChem (CID 43539839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).