3-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methylcycloheptan-1-amine

C15H27N3O — CID 114664209

IUPAC3-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methylcycloheptan-1-amine
SMILESCNC1CCCCC(c2c(OC)cnn2C(C)C)C1
InChIInChI=1S/C15H27N3O/c1-11(2)18-15(14(19-4)10-17-18)12-7-5-6-8-13(9-12)16-3/h10-13,16H,5-9H2,1-4H3
InChIKeyBLRLHXUUKSJSEV-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.11
Rot. Bonds4

About 3-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methylcycloheptan-1-amine

3-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methylcycloheptan-1-amine (PubChem CID 114664209) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 3-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methylcycloheptan-1-amine.

Molecular Properties

Compound Name3-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methylcycloheptan-1-amine
PubChem CID114664209
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name3-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methylcycloheptan-1-amine
SMILESCNC1CCCCC(c2c(OC)cnn2C(C)C)C1
InChIInChI=1S/C15H27N3O/c1-11(2)18-15(14(19-4)10-17-18)12-7-5-6-8-13(9-12)16-3/h10-13,16H,5-9H2,1-4H3
InChIKeyBLRLHXUUKSJSEV-UHFFFAOYSA-N
XLogP3.11
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2,6-dimethylpiperidine
CID 114272278
N-[[2-(4-methoxy-1-propan-2-ylpyrazol-5-yl)cyclohexyl]methyl]propan-2-amine
CID 114667230
N-[[2-(4-methoxy-1-propan-2-ylpyrazol-5-yl)cyclopentyl]methyl]ethanamine
CID 114667107
N-[[2-(4-methoxy-1-propan-2-ylpyrazol-5-yl)cyclopentyl]methyl]-2-methylpropan-1-amine
CID 114667176
cycloheptyl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone
CID 114640723
N-[4-(4-methoxy-1-propan-2-ylpyrazol-5-yl)pent-3-enyl]cyclopropanamine
CID 104940657
2-cyclopropyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)propan-1-ol
CID 115837387
4-methoxy-5-methyl-1-propan-2-ylpyrazole
CID 149332345
(3-ethylcyclohexyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone
CID 114640768
2-cyclopropyl-2-methoxy-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methylethanamine
CID 114661308
3-(4-bromo-1-propylpyrazol-5-yl)-N-methylcyclohexan-1-amine
CID 114664137
3-(4-methoxy-1-methylpyrazol-5-yl)cycloheptan-1-one
CID 114663622

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methylcycloheptan-1-amine?
The IUPAC name of 3-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methylcycloheptan-1-amine (CID 114664209) is 3-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methylcycloheptan-1-amine.
What is the SMILES notation for 3-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methylcycloheptan-1-amine?
The canonical SMILES for 3-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methylcycloheptan-1-amine is CNC1CCCCC(c2c(OC)cnn2C(C)C)C1.
What is the InChIKey of 3-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methylcycloheptan-1-amine?
The InChIKey is BLRLHXUUKSJSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-11(2)18-15(14(19-4)10-17-18)12-7-5-6-8-13(9-12)16-3/h10-13,16H,5-9H2,1-4H3.
What are the key properties of 3-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methylcycloheptan-1-amine?
3-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methylcycloheptan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methylcycloheptan-1-amine is sourced from PubChem (CID 114664209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).