1-[2-(2-methylpropyl)pyrazol-3-yl]-N-[(2-propan-2-ylpyrazol-3-yl)methyl]methanamine;hydrochloride

C15H26ClN5 — CID 126964707

IUPAC1-[2-(2-methylpropyl)pyrazol-3-yl]-N-[(2-propan-2-ylpyrazol-3-yl)methyl]methanamine;hydrochloride
SMILESCC(C)Cn1nccc1CNCc1ccnn1C(C)C.Cl
InChIInChI=1S/C15H25N5.ClH/c1-12(2)11-19-14(5-7-17-19)9-16-10-15-6-8-18-20(15)13(3)4;/h5-8,12-13,16H,9-11H2,1-4H3;1H
InChIKeyJNPUKLJQJMWYPF-UHFFFAOYSA-N
MW311.86 g/mol
LogP3.03
Rot. Bonds7

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

1-[2-(2-methylpropyl)pyrazol-3-yl]-N-[(2-propan-2-ylpyrazol-3-yl)methyl]methanamine;hydrochloride (PubChem CID 126964707) has the molecular formula C15H26ClN5 and a molecular weight of 311.86 g/mol. Its IUPAC name is 1-[2-(2-methylpropyl)pyrazol-3-yl]-N-[(2-propan-2-ylpyrazol-3-yl)methyl]methanamine;hydrochloride.

Molecular Properties

Compound Name1-[2-(2-methylpropyl)pyrazol-3-yl]-N-[(2-propan-2-ylpyrazol-3-yl)methyl]methanamine;hydrochloride
PubChem CID126964707
Molecular FormulaC15H26ClN5
Molecular Weight311.86 g/mol
Exact Mass311.19
IUPAC Name1-[2-(2-methylpropyl)pyrazol-3-yl]-N-[(2-propan-2-ylpyrazol-3-yl)methyl]methanamine;hydrochloride
SMILESCC(C)Cn1nccc1CNCc1ccnn1C(C)C.Cl
InChIInChI=1S/C15H25N5.ClH/c1-12(2)11-19-14(5-7-17-19)9-16-10-15-6-8-18-20(15)13(3)4;/h5-8,12-13,16H,9-11H2,1-4H3;1H
InChIKeyJNPUKLJQJMWYPF-UHFFFAOYSA-N
XLogP3.03
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.86
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(2-methylpropyl)pyrazol-3-yl]methyl]-2-propan-2-ylpyrazol-3-amine
CID 122167409
1-(4-fluorophenyl)-N-[[2-(2-methylpropyl)pyrazol-3-yl]methyl]methanamine;hydrochloride
CID 126965807
N-[[2-(2-methylpropyl)pyrazol-3-yl]methyl]-1-(1-propan-2-ylpyrazol-3-yl)methanamine
CID 122167384
N-[[2-[(2R)-butan-2-yl]pyrazol-3-yl]methyl]-1-(2-propan-2-ylpyrazol-3-yl)methanamine
CID 124932333
1-(1-methylpyrrol-2-yl)-N-[(2-propan-2-ylpyrazol-3-yl)methyl]methanamine;hydrochloride
CID 126965371
N-[[2-(2-methylpropyl)pyrazol-3-yl]methyl]-3-propan-2-yloxypropan-1-amine
CID 122166141
N',N'-dimethyl-N-[[2-(2-methylpropyl)pyrazol-3-yl]methyl]propane-1,3-diamine;dihydrochloride
CID 126965686
N-[(1-ethylpyrazol-4-yl)methyl]-1-[2-(2-methylpropyl)pyrazol-3-yl]methanamine;hydrochloride
CID 126964634
N-[(2-propan-2-ylpyrazol-3-yl)methyl]butan-1-amine;hydrochloride
CID 126967489
N-(furan-2-ylmethyl)-1-(2-propan-2-ylpyrazol-3-yl)methanamine;hydrochloride
CID 126967579
2-[(2-propan-2-ylpyrazol-3-yl)methylamino]ethanol
CID 122165994
N-[[2-[(2S)-butan-2-yl]pyrazol-3-yl]methyl]-1-(2-ethylpyrazol-3-yl)methanamine
CID 124932286

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylpropyl)pyrazol-3-yl]-N-[(2-propan-2-ylpyrazol-3-yl)methyl]methanamine;hydrochloride?
The IUPAC name of 1-[2-(2-methylpropyl)pyrazol-3-yl]-N-[(2-propan-2-ylpyrazol-3-yl)methyl]methanamine;hydrochloride (CID 126964707) is 1-[2-(2-methylpropyl)pyrazol-3-yl]-N-[(2-propan-2-ylpyrazol-3-yl)methyl]methanamine;hydrochloride.
What is the SMILES notation for 1-[2-(2-methylpropyl)pyrazol-3-yl]-N-[(2-propan-2-ylpyrazol-3-yl)methyl]methanamine;hydrochloride?
The canonical SMILES for 1-[2-(2-methylpropyl)pyrazol-3-yl]-N-[(2-propan-2-ylpyrazol-3-yl)methyl]methanamine;hydrochloride is CC(C)Cn1nccc1CNCc1ccnn1C(C)C.Cl.
What is the InChIKey of 1-[2-(2-methylpropyl)pyrazol-3-yl]-N-[(2-propan-2-ylpyrazol-3-yl)methyl]methanamine;hydrochloride?
The InChIKey is JNPUKLJQJMWYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5.ClH/c1-12(2)11-19-14(5-7-17-19)9-16-10-15-6-8-18-20(15)13(3)4;/h5-8,12-13,16H,9-11H2,1-4H3;1H.
What are the key properties of 1-[2-(2-methylpropyl)pyrazol-3-yl]-N-[(2-propan-2-ylpyrazol-3-yl)methyl]methanamine;hydrochloride?
1-[2-(2-methylpropyl)pyrazol-3-yl]-N-[(2-propan-2-ylpyrazol-3-yl)methyl]methanamine;hydrochloride has a molecular weight of 311.86 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylpropyl)pyrazol-3-yl]-N-[(2-propan-2-ylpyrazol-3-yl)methyl]methanamine;hydrochloride is sourced from PubChem (CID 126964707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).