[1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride

C12H23ClN4 — CID 119918076

IUPAC[1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
SMILESCC(C)n1ccc(CN2CCC(CN)C2)n1.Cl
InChIInChI=1S/C12H22N4.ClH/c1-10(2)16-6-4-12(14-16)9-15-5-3-11(7-13)8-15;/h4,6,10-11H,3,5,7-9,13H2,1-2H3;1H
InChIKeyFVGSLKBRCADORZ-UHFFFAOYSA-N
MW258.80 g/mol
LogP1.67
Rot. Bonds4

About [1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride

[1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride (PubChem CID 119918076) has the molecular formula C12H23ClN4 and a molecular weight of 258.80 g/mol. Its IUPAC name is [1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
PubChem CID119918076
Molecular FormulaC12H23ClN4
Molecular Weight258.80 g/mol
Exact Mass258.16
IUPAC Name[1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
SMILESCC(C)n1ccc(CN2CCC(CN)C2)n1.Cl
InChIInChI=1S/C12H22N4.ClH/c1-10(2)16-6-4-12(14-16)9-15-5-3-11(7-13)8-15;/h4,6,10-11H,3,5,7-9,13H2,1-2H3;1H
InChIKeyFVGSLKBRCADORZ-UHFFFAOYSA-N
XLogP1.67
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.80
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-yl]methanamine
CID 64771254
1-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-yl]piperidin-4-amine
CID 80553361
N-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119905844
3-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-ol
CID 114502720
3-[[3-(bromomethyl)pyrrolidin-1-yl]methyl]-1-butan-2-ylpyrazole
CID 80691044
N-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-3-amine
CID 64771689
3-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-yl]propanoic acid
CID 64772396
[1-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 120837782
1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidin-3-amine
CID 64785981
4-(2-bromoethoxy)-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidine
CID 82691245
[1-[(2-phenyltriazol-4-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 119917977
[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methanamine;hydrochloride
CID 71644926

Frequently Asked Questions

What is the IUPAC name of [1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride?
The IUPAC name of [1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride (CID 119918076) is [1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride?
The canonical SMILES for [1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride is CC(C)n1ccc(CN2CCC(CN)C2)n1.Cl.
What is the InChIKey of [1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride?
The InChIKey is FVGSLKBRCADORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4.ClH/c1-10(2)16-6-4-12(14-16)9-15-5-3-11(7-13)8-15;/h4,6,10-11H,3,5,7-9,13H2,1-2H3;1H.
What are the key properties of [1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride?
[1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride has a molecular weight of 258.80 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride is sourced from PubChem (CID 119918076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).