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

C11H22ClN3 — CID 126968063

IUPAC2-methyl-N-[(1-propylpyrazol-3-yl)methyl]propan-1-amine;hydrochloride
SMILESCCCn1ccc(CNCC(C)C)n1.Cl
InChIInChI=1S/C11H21N3.ClH/c1-4-6-14-7-5-11(13-14)9-12-8-10(2)3;/h5,7,10,12H,4,6,8-9H2,1-3H3;1H
InChIKeyJHCVAGAFLWQFIV-UHFFFAOYSA-N
MW231.77 g/mol
LogP2.46
Rot. Bonds6

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

2-methyl-N-[(1-propylpyrazol-3-yl)methyl]propan-1-amine;hydrochloride (PubChem CID 126968063) has the molecular formula C11H22ClN3 and a molecular weight of 231.77 g/mol. Its IUPAC name is 2-methyl-N-[(1-propylpyrazol-3-yl)methyl]propan-1-amine;hydrochloride.

Molecular Properties

Compound Name2-methyl-N-[(1-propylpyrazol-3-yl)methyl]propan-1-amine;hydrochloride
PubChem CID126968063
Molecular FormulaC11H22ClN3
Molecular Weight231.77 g/mol
Exact Mass231.15
IUPAC Name2-methyl-N-[(1-propylpyrazol-3-yl)methyl]propan-1-amine;hydrochloride
SMILESCCCn1ccc(CNCC(C)C)n1.Cl
InChIInChI=1S/C11H21N3.ClH/c1-4-6-14-7-5-11(13-14)9-12-8-10(2)3;/h5,7,10,12H,4,6,8-9H2,1-3H3;1H
InChIKeyJHCVAGAFLWQFIV-UHFFFAOYSA-N
XLogP2.46
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.77
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(1-propylpyrazol-3-yl)methanamine
CID 19620904
N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(1-propylpyrazol-3-yl)methanamine;hydrochloride
CID 126966916
N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-(1-propylpyrazol-3-yl)methanamine;hydrochloride
CID 126965948
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-methylpropan-1-amine
CID 64801963
N-[(1-ethylpyrazol-4-yl)methyl]-1-(1-propylpyrazol-3-yl)methanamine;hydrochloride
CID 126966967
2-methyl-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]propan-1-amine;hydrochloride
CID 126965352
4-[[(1-propylpyrazol-3-yl)methylamino]methyl]benzene-1,3-diol;hydrochloride
CID 126964545
(1-propylpyrazol-3-yl)methanamine
CID 19576818
N-[[1-[(5-fluoro-2-methylphenyl)methyl]pyrazol-3-yl]methyl]-2-methylpropan-1-amine
CID 105375458
3-(propan-2-yloxymethyl)-1-propylpyrazole
CID 122170479
N-[[1-[(4-chloro-2-fluorophenyl)methyl]pyrazol-3-yl]methyl]-2-methylpropan-1-amine
CID 114859898
3-(bromomethyl)-1-propylpyrazole
CID 122165667

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1-propylpyrazol-3-yl)methyl]propan-1-amine;hydrochloride?
The IUPAC name of 2-methyl-N-[(1-propylpyrazol-3-yl)methyl]propan-1-amine;hydrochloride (CID 126968063) is 2-methyl-N-[(1-propylpyrazol-3-yl)methyl]propan-1-amine;hydrochloride.
What is the SMILES notation for 2-methyl-N-[(1-propylpyrazol-3-yl)methyl]propan-1-amine;hydrochloride?
The canonical SMILES for 2-methyl-N-[(1-propylpyrazol-3-yl)methyl]propan-1-amine;hydrochloride is CCCn1ccc(CNCC(C)C)n1.Cl.
What is the InChIKey of 2-methyl-N-[(1-propylpyrazol-3-yl)methyl]propan-1-amine;hydrochloride?
The InChIKey is JHCVAGAFLWQFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3.ClH/c1-4-6-14-7-5-11(13-14)9-12-8-10(2)3;/h5,7,10,12H,4,6,8-9H2,1-3H3;1H.
What are the key properties of 2-methyl-N-[(1-propylpyrazol-3-yl)methyl]propan-1-amine;hydrochloride?
2-methyl-N-[(1-propylpyrazol-3-yl)methyl]propan-1-amine;hydrochloride has a molecular weight of 231.77 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1-propylpyrazol-3-yl)methyl]propan-1-amine;hydrochloride is sourced from PubChem (CID 126968063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).