[1-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine

C16H30N4 — CID 120781068

IUPAC[1-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine
SMILESCc1nn(C(C)(C)C)c(C)c1CN1CCC(C)(CN)C1
InChIInChI=1S/C16H30N4/c1-12-14(13(2)20(18-12)15(3,4)5)9-19-8-7-16(6,10-17)11-19/h7-11,17H2,1-6H3
InChIKeyZAWSDQYXBPYKQV-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.43
Rot. Bonds3

About [1-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine

[1-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine (PubChem CID 120781068) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is [1-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine
PubChem CID120781068
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC Name[1-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine
SMILESCc1nn(C(C)(C)C)c(C)c1CN1CCC(C)(CN)C1
InChIInChI=1S/C16H30N4/c1-12-14(13(2)20(18-12)15(3,4)5)9-19-8-7-16(6,10-17)11-19/h7-11,17H2,1-6H3
InChIKeyZAWSDQYXBPYKQV-UHFFFAOYSA-N
XLogP2.43
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine
CID 120781124
[1-[[1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine
CID 120781074
4-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methyl]-2,2-dimethyl-1,4-thiazinane 1,1-dioxide
CID 136519675
ethyl 2-[4-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]-3,5-dimethylpyrazol-1-yl]acetate
CID 120847008
[1-[(2,6-dimethylphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120773794
[3-methyl-1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methanamine
CID 120846935
[1-[(2,6-dichlorophenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120771962
[1-[(4-tert-butylphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120771872
1-[1-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]piperazine
CID 120967506
[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]methanamine
CID 120773260
[3-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-yl]methanamine
CID 120967309
[3-methyl-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methanamine
CID 120781039

Frequently Asked Questions

What is the IUPAC name of [1-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine?
The IUPAC name of [1-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine (CID 120781068) is [1-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine is Cc1nn(C(C)(C)C)c(C)c1CN1CCC(C)(CN)C1.
What is the InChIKey of [1-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine?
The InChIKey is ZAWSDQYXBPYKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-12-14(13(2)20(18-12)15(3,4)5)9-19-8-7-16(6,10-17)11-19/h7-11,17H2,1-6H3.
What are the key properties of [1-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine?
[1-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine has a molecular weight of 278.44 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 120781068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).