N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]octan-4-amine

C17H33N3 — CID 106023294

IUPACN-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]octan-4-amine
SMILESCCCCC(CCC)NCc1cn(C)nc1C(C)(C)C
InChIInChI=1S/C17H33N3/c1-7-9-11-15(10-8-2)18-12-14-13-20(6)19-16(14)17(3,4)5/h13,15,18H,7-12H2,1-6H3
InChIKeyCUQIZENFHPEPEO-UHFFFAOYSA-N
MW279.47 g/mol
LogP4.17
Rot. Bonds8

About N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]octan-4-amine

N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]octan-4-amine (PubChem CID 106023294) has the molecular formula C17H33N3 and a molecular weight of 279.47 g/mol. Its IUPAC name is N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]octan-4-amine.

Molecular Properties

Compound NameN-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]octan-4-amine
PubChem CID106023294
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC NameN-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]octan-4-amine
SMILESCCCCC(CCC)NCc1cn(C)nc1C(C)(C)C
InChIInChI=1S/C17H33N3/c1-7-9-11-15(10-8-2)18-12-14-13-20(6)19-16(14)17(3,4)5/h13,15,18H,7-12H2,1-6H3
InChIKeyCUQIZENFHPEPEO-UHFFFAOYSA-N
XLogP4.17
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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)propan-2-amine
CID 19585896
N,1-dimethyl-4,5,6,7-tetrahydro-1H-indazol-4-amine
CID 43254490
2-methyl-4,5,6,7-tetrahydro-2H-indazol-4-amine
CID 69037234
4-(1,4-dimethyl-1H-pyrazol-5-yl)piperidine
CID 82600316
1-methyl-1H,4H,5H,6H,7H,8H-pyrazolo(4,3-c)azepine
CID 83679454
1-(propan-2-yl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine hydrochloride
CID 89858650
(1R)-1-(1,4-dimethyl-1H-pyrazol-3-yl)-1-(1-methylcyclopentyl)methanamine hydrochloride
CID 146444800
[1-methyl-3-(propan-2-yl)-1H-pyrazol-4-yl]methanamine
CID 39869194
1-(propan-2-yl)-4,5,6,7-tetrahydro-1H-indazol-6-amine
CID 54594815

Frequently Asked Questions

What is the IUPAC name of N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]octan-4-amine?
The IUPAC name of N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]octan-4-amine (CID 106023294) is N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]octan-4-amine.
What is the SMILES notation for N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]octan-4-amine?
The canonical SMILES for N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]octan-4-amine is CCCCC(CCC)NCc1cn(C)nc1C(C)(C)C.
What is the InChIKey of N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]octan-4-amine?
The InChIKey is CUQIZENFHPEPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3/c1-7-9-11-15(10-8-2)18-12-14-13-20(6)19-16(14)17(3,4)5/h13,15,18H,7-12H2,1-6H3.
What are the key properties of N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]octan-4-amine?
N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]octan-4-amine has a molecular weight of 279.47 g/mol, XLogP of 4.17, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]octan-4-amine is sourced from PubChem (CID 106023294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).