N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]octan-4-amine

C16H31N3 — CID 103781055

IUPACN-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]octan-4-amine
SMILESCCCCC(CCC)NCc1cn(C)nc1C(C)C
InChIInChI=1S/C16H31N3/c1-6-8-10-15(9-7-2)17-11-14-12-19(5)18-16(14)13(3)4/h12-13,15,17H,6-11H2,1-5H3
InChIKeyHQPKNLCZDLVJOG-UHFFFAOYSA-N
MW265.44 g/mol
LogP3.99
Rot. Bonds9

About N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]octan-4-amine

N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]octan-4-amine (PubChem CID 103781055) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]octan-4-amine.

Molecular Properties

Compound NameN-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]octan-4-amine
PubChem CID103781055
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC NameN-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]octan-4-amine
SMILESCCCCC(CCC)NCc1cn(C)nc1C(C)C
InChIInChI=1S/C16H31N3/c1-6-8-10-15(9-7-2)17-11-14-12-19(5)18-16(14)13(3)4/h12-13,15,17H,6-11H2,1-5H3
InChIKeyHQPKNLCZDLVJOG-UHFFFAOYSA-N
XLogP3.99
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-((1-methyl-1H-pyrazol-5-yl)methyl)piperidine
CID 63961604
1,3-dimethyl-4-(pyrrolidin-2-yl)-1H-pyrazole
CID 71695428
1-ethyl-4,5,6,7-tetrahydro-1H-indazol-4-amine
CID 65356404
2-(propan-2-yl)-4,5,6,7-tetrahydro-2H-indazol-6-amine
CID 71758750
1-(1,3-dimethyl-1H-pyrazol-4-yl)ethan-1-amine
CID 6483877
1-(1,5-Dimethyl-1H-pyrazol-4-yl)ethan-1-amine
CID 17024833
1-(1,3-dimethyl-1H-pyrazol-4-yl)propan-2-amine
CID 19585896
4,5,6,7-Tetrahydro-1-methyl-1H-indazol-4-amine
CID 43243410
N,1-dimethyl-4,5,6,7-tetrahydro-1H-indazol-4-amine
CID 43254490
2-Methyl-4,5,6,7-tetrahydro-2H-indazol-5-amine
CID 45121281
2-methyl-2H,4H,5H,6H,7H-pyrazolo(4,3-c)pyridine dihydrochloride
CID 45789686
1-methyl-1H,4H,5H,6H,7H-pyrazolo(4,3-c)pyridine
CID 50873898

Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]octan-4-amine?
The IUPAC name of N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]octan-4-amine (CID 103781055) is N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]octan-4-amine.
What is the SMILES notation for N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]octan-4-amine?
The canonical SMILES for N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]octan-4-amine is CCCCC(CCC)NCc1cn(C)nc1C(C)C.
What is the InChIKey of N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]octan-4-amine?
The InChIKey is HQPKNLCZDLVJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c1-6-8-10-15(9-7-2)17-11-14-12-19(5)18-16(14)13(3)4/h12-13,15,17H,6-11H2,1-5H3.
What are the key properties of N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]octan-4-amine?
N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]octan-4-amine has a molecular weight of 265.44 g/mol, XLogP of 3.99, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]octan-4-amine is sourced from PubChem (CID 103781055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).