3-[4-[2-(2-methylpropoxy)phenyl]pyrazol-1-yl]propan-1-amine;hydrochloride

C16H24ClN3O — CID 164608410

IUPAC3-[4-[2-(2-methylpropoxy)phenyl]pyrazol-1-yl]propan-1-amine;hydrochloride
SMILESCC(C)COc1ccccc1-c1cnn(CCCN)c1.Cl
InChIInChI=1S/C16H23N3O.ClH/c1-13(2)12-20-16-7-4-3-6-15(16)14-10-18-19(11-14)9-5-8-17;/h3-4,6-7,10-11,13H,5,8-9,12,17H2,1-2H3;1H
InChIKeyVPLODRVHIDDZNA-UHFFFAOYSA-N
MW309.84 g/mol
LogP3.36
Rot. Bonds7

About 3-[4-[2-(2-methylpropoxy)phenyl]pyrazol-1-yl]propan-1-amine;hydrochloride

3-[4-[2-(2-methylpropoxy)phenyl]pyrazol-1-yl]propan-1-amine;hydrochloride (PubChem CID 164608410) has the molecular formula C16H24ClN3O and a molecular weight of 309.84 g/mol. Its IUPAC name is 3-[4-[2-(2-methylpropoxy)phenyl]pyrazol-1-yl]propan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-[4-[2-(2-methylpropoxy)phenyl]pyrazol-1-yl]propan-1-amine;hydrochloride
PubChem CID164608410
Molecular FormulaC16H24ClN3O
Molecular Weight309.84 g/mol
Exact Mass309.16
IUPAC Name3-[4-[2-(2-methylpropoxy)phenyl]pyrazol-1-yl]propan-1-amine;hydrochloride
SMILESCC(C)COc1ccccc1-c1cnn(CCCN)c1.Cl
InChIInChI=1S/C16H23N3O.ClH/c1-13(2)12-20-16-7-4-3-6-15(16)14-10-18-19(11-14)9-5-8-17;/h3-4,6-7,10-11,13H,5,8-9,12,17H2,1-2H3;1H
InChIKeyVPLODRVHIDDZNA-UHFFFAOYSA-N
XLogP3.36
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(2-ethoxyphenyl)pyrazol-1-yl]propan-1-amine;hydrochloride
CID 164608406
3-[4-[2-(2,2,2-trifluoroethoxy)phenyl]pyrazol-1-yl]propan-1-amine
CID 164608415
3-(4-phenylpyrazol-1-yl)propan-1-amine;hydrochloride
CID 164608398
3-[4-(4-propan-2-yloxyphenyl)pyrazol-1-yl]propan-1-amine
CID 164608378
3-[4-[2-(trifluoromethyl)phenyl]pyrazol-1-yl]propan-1-amine
CID 164608391
10-(4-phenylpyrazol-1-yl)decan-1-amine
CID 150162722
3-[4-(5-chloro-2-methoxyphenyl)pyrazol-1-yl]propan-1-amine
CID 94277704
2-[4-(4-propan-2-ylphenyl)pyrazol-1-yl]ethanamine;hydrochloride
CID 164608290
3-[4-(furan-2-yl)pyrazol-1-yl]propan-1-amine
CID 121214021
2-[4-[2-[(2-methoxyphenyl)methoxy]phenyl]pyrazol-1-yl]ethanol
CID 72908195
4-[2-(2-methylpropoxy)phenyl]butan-1-amine
CID 83932463
3-[4-(2-chloro-6-fluorophenyl)pyrazol-1-yl]propan-1-amine
CID 82119975

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(2-methylpropoxy)phenyl]pyrazol-1-yl]propan-1-amine;hydrochloride?
The IUPAC name of 3-[4-[2-(2-methylpropoxy)phenyl]pyrazol-1-yl]propan-1-amine;hydrochloride (CID 164608410) is 3-[4-[2-(2-methylpropoxy)phenyl]pyrazol-1-yl]propan-1-amine;hydrochloride.
What is the SMILES notation for 3-[4-[2-(2-methylpropoxy)phenyl]pyrazol-1-yl]propan-1-amine;hydrochloride?
The canonical SMILES for 3-[4-[2-(2-methylpropoxy)phenyl]pyrazol-1-yl]propan-1-amine;hydrochloride is CC(C)COc1ccccc1-c1cnn(CCCN)c1.Cl.
What is the InChIKey of 3-[4-[2-(2-methylpropoxy)phenyl]pyrazol-1-yl]propan-1-amine;hydrochloride?
The InChIKey is VPLODRVHIDDZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O.ClH/c1-13(2)12-20-16-7-4-3-6-15(16)14-10-18-19(11-14)9-5-8-17;/h3-4,6-7,10-11,13H,5,8-9,12,17H2,1-2H3;1H.
What are the key properties of 3-[4-[2-(2-methylpropoxy)phenyl]pyrazol-1-yl]propan-1-amine;hydrochloride?
3-[4-[2-(2-methylpropoxy)phenyl]pyrazol-1-yl]propan-1-amine;hydrochloride has a molecular weight of 309.84 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(2-methylpropoxy)phenyl]pyrazol-1-yl]propan-1-amine;hydrochloride is sourced from PubChem (CID 164608410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).