N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpropan-1-amine;hydrochloride

C10H20ClN3 — CID 126964678

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpropan-1-amine;hydrochloride
SMILESCc1c(CNCC(C)C)cnn1C.Cl
InChIInChI=1S/C10H19N3.ClH/c1-8(2)5-11-6-10-7-12-13(4)9(10)3;/h7-8,11H,5-6H2,1-4H3;1H
InChIKeyMYIKLUCRRWJJTF-UHFFFAOYSA-N
MW217.74 g/mol
LogP1.90
Rot. Bonds4

About N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpropan-1-amine;hydrochloride

N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpropan-1-amine;hydrochloride (PubChem CID 126964678) has the molecular formula C10H20ClN3 and a molecular weight of 217.74 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpropan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpropan-1-amine;hydrochloride
PubChem CID126964678
Molecular FormulaC10H20ClN3
Molecular Weight217.74 g/mol
Exact Mass217.13
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpropan-1-amine;hydrochloride
SMILESCc1c(CNCC(C)C)cnn1C.Cl
InChIInChI=1S/C10H19N3.ClH/c1-8(2)5-11-6-10-7-12-13(4)9(10)3;/h7-8,11H,5-6H2,1-4H3;1H
InChIKeyMYIKLUCRRWJJTF-UHFFFAOYSA-N
XLogP1.90
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.74
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1,5-dimethylpyrazol-4-yl)methylamino]-4-methylpentan-2-ol
CID 109480929
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methoxypropan-1-amine
CID 102696485
3-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-methylpropanamide
CID 106044659
3-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-methylpropanoic acid
CID 106035596
1-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-(2-methylpropoxy)propan-2-ol
CID 103851386
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanamine;hydrochloride
CID 126967328
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-ethylhexan-1-amine
CID 79578441
1-[(1,5-dimethylpyrazol-4-yl)methylamino]ethanol
CID 155693973
N-[[1-(2-ethylbutyl)-5-methylpyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 82925221
1-(diethylamino)-3-[(1,5-dimethylpyrazol-4-yl)methylamino]propan-2-ol
CID 114140218
(2R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]butan-2-amine
CID 93459109
1-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol
CID 106044600

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpropan-1-amine;hydrochloride?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpropan-1-amine;hydrochloride (CID 126964678) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpropan-1-amine;hydrochloride.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpropan-1-amine;hydrochloride?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpropan-1-amine;hydrochloride is Cc1c(CNCC(C)C)cnn1C.Cl.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpropan-1-amine;hydrochloride?
The InChIKey is MYIKLUCRRWJJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3.ClH/c1-8(2)5-11-6-10-7-12-13(4)9(10)3;/h7-8,11H,5-6H2,1-4H3;1H.
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpropan-1-amine;hydrochloride?
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpropan-1-amine;hydrochloride has a molecular weight of 217.74 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpropan-1-amine;hydrochloride is sourced from PubChem (CID 126964678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).