(4-chloro-1-propan-2-ylpyrazol-5-yl)-quinolin-6-ylmethanamine

C16H17ClN4 — CID 114651326

IUPAC(4-chloro-1-propan-2-ylpyrazol-5-yl)-quinolin-6-ylmethanamine
SMILESCC(C)n1ncc(Cl)c1C(N)c1ccc2ncccc2c1
InChIInChI=1S/C16H17ClN4/c1-10(2)21-16(13(17)9-20-21)15(18)12-5-6-14-11(8-12)4-3-7-19-14/h3-10,15H,18H2,1-2H3
InChIKeyWCFVFENQHHBYJD-UHFFFAOYSA-N
MW300.79 g/mol
LogP3.71
Rot. Bonds3

About (4-chloro-1-propan-2-ylpyrazol-5-yl)-quinolin-6-ylmethanamine

(4-chloro-1-propan-2-ylpyrazol-5-yl)-quinolin-6-ylmethanamine (PubChem CID 114651326) has the molecular formula C16H17ClN4 and a molecular weight of 300.79 g/mol. Its IUPAC name is (4-chloro-1-propan-2-ylpyrazol-5-yl)-quinolin-6-ylmethanamine.

Molecular Properties

Compound Name(4-chloro-1-propan-2-ylpyrazol-5-yl)-quinolin-6-ylmethanamine
PubChem CID114651326
Molecular FormulaC16H17ClN4
Molecular Weight300.79 g/mol
Exact Mass300.11
IUPAC Name(4-chloro-1-propan-2-ylpyrazol-5-yl)-quinolin-6-ylmethanamine
SMILESCC(C)n1ncc(Cl)c1C(N)c1ccc2ncccc2c1
InChIInChI=1S/C16H17ClN4/c1-10(2)21-16(13(17)9-20-21)15(18)12-5-6-14-11(8-12)4-3-7-19-14/h3-10,15H,18H2,1-2H3
InChIKeyWCFVFENQHHBYJD-UHFFFAOYSA-N
XLogP3.71
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3,4-dimethylphenyl)methanamine
CID 105041637
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3-fluoro-4-methylphenyl)methanamine
CID 114646818
(3-bromo-4-methylphenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanamine
CID 105041750
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(4-fluorophenyl)methanamine
CID 114646229
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 105041746
(3-chloro-4-iodophenyl)-quinolin-6-ylmethanamine
CID 103215982
(4-chloro-1-propan-2-ylpyrazol-5-yl)-quinoxalin-6-ylmethanol
CID 114643685
(6-methyl-3-pyridinyl)-quinolin-6-ylmethanamine
CID 63155973
6-(3-quinolin-6-ylbutan-2-yl)quinoline
CID 20658775
(4-tert-butylphenyl)-quinolin-6-ylmethanamine
CID 82106268
1-(2-chloro-4-quinolin-6-ylphenyl)ethanamine
CID 82781912
2-quinolin-6-ylpropan-1-amine
CID 79002101

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-propan-2-ylpyrazol-5-yl)-quinolin-6-ylmethanamine?
The IUPAC name of (4-chloro-1-propan-2-ylpyrazol-5-yl)-quinolin-6-ylmethanamine (CID 114651326) is (4-chloro-1-propan-2-ylpyrazol-5-yl)-quinolin-6-ylmethanamine.
What is the SMILES notation for (4-chloro-1-propan-2-ylpyrazol-5-yl)-quinolin-6-ylmethanamine?
The canonical SMILES for (4-chloro-1-propan-2-ylpyrazol-5-yl)-quinolin-6-ylmethanamine is CC(C)n1ncc(Cl)c1C(N)c1ccc2ncccc2c1.
What is the InChIKey of (4-chloro-1-propan-2-ylpyrazol-5-yl)-quinolin-6-ylmethanamine?
The InChIKey is WCFVFENQHHBYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4/c1-10(2)21-16(13(17)9-20-21)15(18)12-5-6-14-11(8-12)4-3-7-19-14/h3-10,15H,18H2,1-2H3.
What are the key properties of (4-chloro-1-propan-2-ylpyrazol-5-yl)-quinolin-6-ylmethanamine?
(4-chloro-1-propan-2-ylpyrazol-5-yl)-quinolin-6-ylmethanamine has a molecular weight of 300.79 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-propan-2-ylpyrazol-5-yl)-quinolin-6-ylmethanamine is sourced from PubChem (CID 114651326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).