1-(5-tert-butyl-1H-pyrazol-4-yl)-N-methylpropan-2-amine

C11H21N3 — CID 105449531

IUPAC1-(5-tert-butyl-1H-pyrazol-4-yl)-N-methylpropan-2-amine
SMILESCNC(C)Cc1cn[nH]c1C(C)(C)C
InChIInChI=1S/C11H21N3/c1-8(12-5)6-9-7-13-14-10(9)11(2,3)4/h7-8,12H,6H2,1-5H3,(H,13,14)
InChIKeyUKWSOQGGVMMDRK-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.86
Rot. Bonds3

About 1-(5-tert-butyl-1H-pyrazol-4-yl)-N-methylpropan-2-amine

1-(5-tert-butyl-1H-pyrazol-4-yl)-N-methylpropan-2-amine (PubChem CID 105449531) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 1-(5-tert-butyl-1H-pyrazol-4-yl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(5-tert-butyl-1H-pyrazol-4-yl)-N-methylpropan-2-amine
PubChem CID105449531
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name1-(5-tert-butyl-1H-pyrazol-4-yl)-N-methylpropan-2-amine
SMILESCNC(C)Cc1cn[nH]c1C(C)(C)C
InChIInChI=1S/C11H21N3/c1-8(12-5)6-9-7-13-14-10(9)11(2,3)4/h7-8,12H,6H2,1-5H3,(H,13,14)
InChIKeyUKWSOQGGVMMDRK-UHFFFAOYSA-N
XLogP1.86
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-tert-butyl-1H-pyrazol-4-yl)-2-methylpropanoic acid
CID 83834819
N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 112732597
ethyl 2-amino-3-(5-tert-butyl-1H-pyrazol-4-yl)propanoate
CID 170886041
3-(5-tert-butyl-1H-pyrazol-4-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 170881636
3-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]pentan-1-ol
CID 111449162
N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-2-methylsulfinylethanamine
CID 115632431
[2-[[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]methyl]phenyl]methanol
CID 47626527
1-(5-tert-butyl-1H-pyrazol-4-yl)-2-(methylamino)ethanol
CID 83831395
1-(5-tert-butyl-2-methoxyphenyl)-N-methylpropan-2-amine
CID 82262287
1-[[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]methyl]cyclobutan-1-ol
CID 111114665
N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-2-methyl-3-pyrazol-1-ylpropan-1-amine;hydrochloride
CID 86808831
N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-2-methoxyaniline
CID 68723027

Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-1H-pyrazol-4-yl)-N-methylpropan-2-amine?
The IUPAC name of 1-(5-tert-butyl-1H-pyrazol-4-yl)-N-methylpropan-2-amine (CID 105449531) is 1-(5-tert-butyl-1H-pyrazol-4-yl)-N-methylpropan-2-amine.
What is the SMILES notation for 1-(5-tert-butyl-1H-pyrazol-4-yl)-N-methylpropan-2-amine?
The canonical SMILES for 1-(5-tert-butyl-1H-pyrazol-4-yl)-N-methylpropan-2-amine is CNC(C)Cc1cn[nH]c1C(C)(C)C.
What is the InChIKey of 1-(5-tert-butyl-1H-pyrazol-4-yl)-N-methylpropan-2-amine?
The InChIKey is UKWSOQGGVMMDRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-8(12-5)6-9-7-13-14-10(9)11(2,3)4/h7-8,12H,6H2,1-5H3,(H,13,14).
What are the key properties of 1-(5-tert-butyl-1H-pyrazol-4-yl)-N-methylpropan-2-amine?
1-(5-tert-butyl-1H-pyrazol-4-yl)-N-methylpropan-2-amine has a molecular weight of 195.31 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-1H-pyrazol-4-yl)-N-methylpropan-2-amine is sourced from PubChem (CID 105449531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).