1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine

C14H18N4 — CID 79748631

IUPAC1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine
SMILESCNC(c1ccn(C)n1)C1CCc2cccnc21
InChIInChI=1S/C14H18N4/c1-15-14(12-7-9-18(2)17-12)11-6-5-10-4-3-8-16-13(10)11/h3-4,7-9,11,14-15H,5-6H2,1-2H3
InChIKeyLDBVPLZPCNUGKT-UHFFFAOYSA-N
MW242.33 g/mol
LogP1.81
Rot. Bonds3

About 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine

1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine (PubChem CID 79748631) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine.

Molecular Properties

Compound Name1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine
PubChem CID79748631
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine
SMILESCNC(c1ccn(C)n1)C1CCc2cccnc21
InChIInChI=1S/C14H18N4/c1-15-14(12-7-9-18(2)17-12)11-6-5-10-4-3-8-16-13(10)11/h3-4,7-9,11,14-15H,5-6H2,1-2H3
InChIKeyLDBVPLZPCNUGKT-UHFFFAOYSA-N
XLogP1.81
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methyl-1-(3-methylimidazol-4-yl)methanamine
CID 82901995
N-methyl-1-(1-methylpyrazol-3-yl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
CID 103130976
1-(2-bromophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylmethanamine
CID 79747890
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methyl-1-(3,4,5-trifluorophenyl)methanamine
CID 79733088
1-(5-chlorofuran-2-yl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylmethanamine
CID 106692576
1-(3,4-dichlorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylmethanamine
CID 81491760
1-(4-bromo-3,5-dimethylphenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylmethanamine
CID 114330478
1-(2,6-difluoro-3-methylphenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylmethanamine
CID 105009920
1-(5-fluoro-2-pyridinyl)-N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
CID 79748410
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1-(2-ethoxyphenyl)-N-methylmethanamine
CID 115533883
1-(3-bromo-5-chlorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylmethanamine
CID 107946316
1-(3-bromo-4-methylphenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylmethanamine
CID 105009845

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine?
The IUPAC name of 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine (CID 79748631) is 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine.
What is the SMILES notation for 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine?
The canonical SMILES for 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine is CNC(c1ccn(C)n1)C1CCc2cccnc21.
What is the InChIKey of 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine?
The InChIKey is LDBVPLZPCNUGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-15-14(12-7-9-18(2)17-12)11-6-5-10-4-3-8-16-13(10)11/h3-4,7-9,11,14-15H,5-6H2,1-2H3.
What are the key properties of 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine?
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine has a molecular weight of 242.33 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine is sourced from PubChem (CID 79748631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).