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

C12H23ClN4 — CID 120837782

IUPAC[1-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
SMILESCC(C)n1nccc1CN1CCC(CN)C1.Cl
InChIInChI=1S/C12H22N4.ClH/c1-10(2)16-12(3-5-14-16)9-15-6-4-11(7-13)8-15;/h3,5,10-11H,4,6-9,13H2,1-2H3;1H
InChIKeyWZXDEGAHMCWTJM-UHFFFAOYSA-N
MW258.80 g/mol
LogP1.67
Rot. Bonds4

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

[1-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride (PubChem CID 120837782) has the molecular formula C12H23ClN4 and a molecular weight of 258.80 g/mol. Its IUPAC name is [1-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
PubChem CID120837782
Molecular FormulaC12H23ClN4
Molecular Weight258.80 g/mol
Exact Mass258.16
IUPAC Name[1-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
SMILESCC(C)n1nccc1CN1CCC(CN)C1.Cl
InChIInChI=1S/C12H22N4.ClH/c1-10(2)16-12(3-5-14-16)9-15-6-4-11(7-13)8-15;/h3,5,10-11H,4,6-9,13H2,1-2H3;1H
InChIKeyWZXDEGAHMCWTJM-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

N-methyl-2-[1-[(2-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-yl]ethanamine;hydrochloride
CID 120843546
N-[[1-[(2-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
CID 120842604
1-[1-[(2-propan-2-ylpyrazol-3-yl)methyl]piperidin-3-yl]ethanamine
CID 120841095
[1-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methanamine
CID 120841938
[1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 120837654
[1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 119918076
3-methyl-5-[1-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 128983203
1-methyl-4-[(2-propan-2-ylpyrazol-3-yl)methyl]-1,4-diazepane-6-carboxamide
CID 127245456
(4aS,8aR)-6-[(2-propan-2-ylpyrazol-3-yl)methyl]-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazin-3-one
CID 110135677
2-[(2-propan-2-ylpyrazol-3-yl)methyl]-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine;hydrochloride
CID 120844094
N,N,1-trimethyl-4-[(2-propan-2-ylpyrazol-3-yl)methyl]-1,4-diazepane-6-carboxamide
CID 127245458
[1-[(4-trimethylsilylphenyl)methyl]pyrrolidin-3-yl]methanamine
CID 103438151

Frequently Asked Questions

What is the IUPAC name of [1-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride?
The IUPAC name of [1-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride (CID 120837782) is [1-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride?
The canonical SMILES for [1-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride is CC(C)n1nccc1CN1CCC(CN)C1.Cl.
What is the InChIKey of [1-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride?
The InChIKey is WZXDEGAHMCWTJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4.ClH/c1-10(2)16-12(3-5-14-16)9-15-6-4-11(7-13)8-15;/h3,5,10-11H,4,6-9,13H2,1-2H3;1H.
What are the key properties of [1-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride?
[1-[(2-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-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride is sourced from PubChem (CID 120837782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).