3-(1-methylpyrazol-4-yl)-1-quinolin-4-ylpropan-1-amine

C16H18N4 — CID 103029571

IUPAC3-(1-methylpyrazol-4-yl)-1-quinolin-4-ylpropan-1-amine
SMILESCn1cc(CCC(N)c2ccnc3ccccc23)cn1
InChIInChI=1S/C16H18N4/c1-20-11-12(10-19-20)6-7-15(17)13-8-9-18-16-5-3-2-4-14(13)16/h2-5,8-11,15H,6-7,17H2,1H3
InChIKeySQRDLRCOSGPARX-UHFFFAOYSA-N
MW266.35 g/mol
LogP2.60
Rot. Bonds4

About 3-(1-methylpyrazol-4-yl)-1-quinolin-4-ylpropan-1-amine

3-(1-methylpyrazol-4-yl)-1-quinolin-4-ylpropan-1-amine (PubChem CID 103029571) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is 3-(1-methylpyrazol-4-yl)-1-quinolin-4-ylpropan-1-amine.

Molecular Properties

Compound Name3-(1-methylpyrazol-4-yl)-1-quinolin-4-ylpropan-1-amine
PubChem CID103029571
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name3-(1-methylpyrazol-4-yl)-1-quinolin-4-ylpropan-1-amine
SMILESCn1cc(CCC(N)c2ccnc3ccccc23)cn1
InChIInChI=1S/C16H18N4/c1-20-11-12(10-19-20)6-7-15(17)13-8-9-18-16-5-3-2-4-14(13)16/h2-5,8-11,15H,6-7,17H2,1H3
InChIKeySQRDLRCOSGPARX-UHFFFAOYSA-N
XLogP2.60
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-methylpyrazol-4-yl)-1-quinolin-4-ylethanamine
CID 105114119
1-(2-bromophenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103009628
1-(2-fluoro-3-methylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103030310
1-(2,5-dimethylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103030043
N-[(1-methylpyrazol-4-yl)-quinolin-4-ylmethyl]ethanamine
CID 105104643
(1S)-1-quinolin-4-ylhexan-1-amine
CID 171236624
(1S)-1-quinolin-4-ylhexan-1-amine;hydrochloride
CID 171236625
1-(1H-imidazol-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103011534
3-(1-methylpyrazol-4-yl)-1-(2-phenyltriazol-4-yl)propan-1-amine
CID 103030204
1-(benzimidazol-1-yl)-4-(1-methylpyrazol-4-yl)butan-2-amine
CID 103029759
(1R)-1-quinolin-4-ylbutane-1,4-diamine;hydrochloride
CID 171216978
2-(1-methylpyrazol-3-yl)-1-quinolin-4-ylethanamine
CID 105175097

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-4-yl)-1-quinolin-4-ylpropan-1-amine?
The IUPAC name of 3-(1-methylpyrazol-4-yl)-1-quinolin-4-ylpropan-1-amine (CID 103029571) is 3-(1-methylpyrazol-4-yl)-1-quinolin-4-ylpropan-1-amine.
What is the SMILES notation for 3-(1-methylpyrazol-4-yl)-1-quinolin-4-ylpropan-1-amine?
The canonical SMILES for 3-(1-methylpyrazol-4-yl)-1-quinolin-4-ylpropan-1-amine is Cn1cc(CCC(N)c2ccnc3ccccc23)cn1.
What is the InChIKey of 3-(1-methylpyrazol-4-yl)-1-quinolin-4-ylpropan-1-amine?
The InChIKey is SQRDLRCOSGPARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-20-11-12(10-19-20)6-7-15(17)13-8-9-18-16-5-3-2-4-14(13)16/h2-5,8-11,15H,6-7,17H2,1H3.
What are the key properties of 3-(1-methylpyrazol-4-yl)-1-quinolin-4-ylpropan-1-amine?
3-(1-methylpyrazol-4-yl)-1-quinolin-4-ylpropan-1-amine has a molecular weight of 266.35 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-4-yl)-1-quinolin-4-ylpropan-1-amine is sourced from PubChem (CID 103029571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).