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

C12H22N4 — CID 120841938

IUPAC[1-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methanamine
SMILESCC(C)n1nccc1CN1CCCC1CN
InChIInChI=1S/C12H22N4/c1-10(2)16-12(5-6-14-16)9-15-7-3-4-11(15)8-13/h5-6,10-11H,3-4,7-9,13H2,1-2H3
InChIKeyGOAVAECULKSAQK-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.39
Rot. Bonds4

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

[1-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methanamine (PubChem CID 120841938) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is [1-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methanamine
PubChem CID120841938
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name[1-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methanamine
SMILESCC(C)n1nccc1CN1CCCC1CN
InChIInChI=1S/C12H22N4/c1-10(2)16-12(5-6-14-16)9-15-7-3-4-11(15)8-13/h5-6,10-11H,3-4,7-9,13H2,1-2H3
InChIKeyGOAVAECULKSAQK-UHFFFAOYSA-N
XLogP1.39
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[(2S)-1-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-2-yl]ethyl]pyridine
CID 124992720
3-amino-N-[[1-[(2-propan-2-ylpyrazol-3-yl)methyl]piperidin-2-yl]methyl]propanamide
CID 120911586
[1-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 120837782
1-[1-[(2-propan-2-ylpyrazol-3-yl)methyl]piperidin-3-yl]ethanamine
CID 120841095
[1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]methanamine
CID 115311784
[1-[(2-methylpyrimidin-4-yl)methyl]pyrrolidin-2-yl]methanamine
CID 115527317
[1-[(5-methylfuran-2-yl)methyl]pyrrolidin-2-yl]methanamine
CID 82505300
N-[[6-[(2R)-1-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide
CID 125022837
7-[(2R)-1-[(2-propan-2-ylpyrazol-3-yl)methyl]piperidin-2-yl]-8H-imidazo[1,2-a]pyrimidin-5-one
CID 124976287
[(2S)-1-benzylpyrrolidin-2-yl]methanamine;hydrochloride
CID 22856183
[(2S)-1-[(4-iodophenyl)methyl]pyrrolidin-2-yl]methanamine
CID 90478034
[(2R)-1-(furan-2-ylmethyl)pyrrolidin-2-yl]methanamine
CID 94011431

Frequently Asked Questions

What is the IUPAC name of [1-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methanamine?
The IUPAC name of [1-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methanamine (CID 120841938) is [1-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methanamine.
What is the SMILES notation for [1-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methanamine?
The canonical SMILES for [1-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methanamine is CC(C)n1nccc1CN1CCCC1CN.
What is the InChIKey of [1-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methanamine?
The InChIKey is GOAVAECULKSAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-10(2)16-12(5-6-14-16)9-15-7-3-4-11(15)8-13/h5-6,10-11H,3-4,7-9,13H2,1-2H3.
What are the key properties of [1-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methanamine?
[1-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methanamine has a molecular weight of 222.34 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methanamine is sourced from PubChem (CID 120841938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).