1-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride

C14H27ClN4 — CID 120909656

IUPAC1-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride
SMILESCC1CN(Cc2cn(C)nc2C(C)(C)C)CC1N.Cl
InChIInChI=1S/C14H26N4.ClH/c1-10-6-18(9-12(10)15)8-11-7-17(5)16-13(11)14(2,3)4;/h7,10,12H,6,8-9,15H2,1-5H3;1H
InChIKeyWKVAZOOTMJIXTE-UHFFFAOYSA-N
MW286.85 g/mol
LogP1.92
Rot. Bonds2

About 1-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride

1-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride (PubChem CID 120909656) has the molecular formula C14H27ClN4 and a molecular weight of 286.85 g/mol. Its IUPAC name is 1-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name1-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride
PubChem CID120909656
Molecular FormulaC14H27ClN4
Molecular Weight286.85 g/mol
Exact Mass286.19
IUPAC Name1-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride
SMILESCC1CN(Cc2cn(C)nc2C(C)(C)C)CC1N.Cl
InChIInChI=1S/C14H26N4.ClH/c1-10-6-18(9-12(10)15)8-11-7-17(5)16-13(11)14(2,3)4;/h7,10,12H,6,8-9,15H2,1-5H3;1H
InChIKeyWKVAZOOTMJIXTE-UHFFFAOYSA-N
XLogP1.92
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.85
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride?
The IUPAC name of 1-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride (CID 120909656) is 1-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for 1-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride?
The canonical SMILES for 1-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride is CC1CN(Cc2cn(C)nc2C(C)(C)C)CC1N.Cl.
What is the InChIKey of 1-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride?
The InChIKey is WKVAZOOTMJIXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4.ClH/c1-10-6-18(9-12(10)15)8-11-7-17(5)16-13(11)14(2,3)4;/h7,10,12H,6,8-9,15H2,1-5H3;1H.
What are the key properties of 1-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride?
1-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride has a molecular weight of 286.85 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 120909656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).