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

C12H23ClN4 — CID 119905844

IUPACN-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-amine;hydrochloride
SMILESCNC1CCN(Cc2ccn(C(C)C)n2)C1.Cl
InChIInChI=1S/C12H22N4.ClH/c1-10(2)16-7-5-12(14-16)9-15-6-4-11(8-15)13-3;/h5,7,10-11,13H,4,6,8-9H2,1-3H3;1H
InChIKeyBIKWXHUTMXUXOY-UHFFFAOYSA-N
MW258.80 g/mol
LogP1.68
Rot. Bonds4

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

N-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-amine;hydrochloride (PubChem CID 119905844) has the molecular formula C12H23ClN4 and a molecular weight of 258.80 g/mol. Its IUPAC name is N-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound NameN-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-amine;hydrochloride
PubChem CID119905844
Molecular FormulaC12H23ClN4
Molecular Weight258.80 g/mol
Exact Mass258.16
IUPAC NameN-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-amine;hydrochloride
SMILESCNC1CCN(Cc2ccn(C(C)C)n2)C1.Cl
InChIInChI=1S/C12H22N4.ClH/c1-10(2)16-7-5-12(14-16)9-15-6-4-11(8-15)13-3;/h5,7,10-11,13H,4,6,8-9H2,1-3H3;1H
InChIKeyBIKWXHUTMXUXOY-UHFFFAOYSA-N
XLogP1.68
TPSA33.09 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 ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-3-amine
CID 64771689
N-methyl-1-[(1-methylpyrazol-3-yl)methyl]pyrrolidin-3-amine
CID 82869947
[1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 119918076
3-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-ol
CID 114502720
[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-methylpyrazol-3-yl)methyl]piperidin-4-amine
CID 82866663
1-[(1-butan-2-ylpyrazol-3-yl)methyl]-N-ethylpiperidin-4-amine
CID 64801541
3-tert-butyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperazine
CID 64834620
N-methyl-1-[(1-phenylpyrazol-3-yl)methyl]piperidin-3-amine;hydrochloride
CID 119919223
1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperazine
CID 64771238
(3S)-1-[(1-butan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-ol
CID 66291137

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-amine;hydrochloride?
The IUPAC name of N-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-amine;hydrochloride (CID 119905844) is N-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for N-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-amine;hydrochloride?
The canonical SMILES for N-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-amine;hydrochloride is CNC1CCN(Cc2ccn(C(C)C)n2)C1.Cl.
What is the InChIKey of N-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-amine;hydrochloride?
The InChIKey is BIKWXHUTMXUXOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4.ClH/c1-10(2)16-7-5-12(14-16)9-15-6-4-11(8-15)13-3;/h5,7,10-11,13H,4,6,8-9H2,1-3H3;1H.
What are the key properties of N-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-amine;hydrochloride?
N-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-amine;hydrochloride has a molecular weight of 258.80 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 119905844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).