N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]propan-2-amine;hydrochloride

C11H22ClN3 — CID 75530696

IUPACN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]propan-2-amine;hydrochloride
SMILESCCn1nc(C)c(CNC(C)C)c1C.Cl
InChIInChI=1S/C11H21N3.ClH/c1-6-14-10(5)11(9(4)13-14)7-12-8(2)3;/h8,12H,6-7H2,1-5H3;1H
InChIKeyNUFPLVVHFXRWJN-UHFFFAOYSA-N
MW231.77 g/mol
LogP2.44
Rot. Bonds4

About N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]propan-2-amine;hydrochloride

N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]propan-2-amine;hydrochloride (PubChem CID 75530696) has the molecular formula C11H22ClN3 and a molecular weight of 231.77 g/mol. Its IUPAC name is N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]propan-2-amine;hydrochloride.

Molecular Properties

Compound NameN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]propan-2-amine;hydrochloride
PubChem CID75530696
Molecular FormulaC11H22ClN3
Molecular Weight231.77 g/mol
Exact Mass231.15
IUPAC NameN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]propan-2-amine;hydrochloride
SMILESCCn1nc(C)c(CNC(C)C)c1C.Cl
InChIInChI=1S/C11H21N3.ClH/c1-6-14-10(5)11(9(4)13-14)7-12-8(2)3;/h8,12H,6-7H2,1-5H3;1H
InChIKeyNUFPLVVHFXRWJN-UHFFFAOYSA-N
XLogP2.44
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.77
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]propan-2-amine;hydrochloride?
The IUPAC name of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]propan-2-amine;hydrochloride (CID 75530696) is N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]propan-2-amine;hydrochloride.
What is the SMILES notation for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]propan-2-amine;hydrochloride?
The canonical SMILES for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]propan-2-amine;hydrochloride is CCn1nc(C)c(CNC(C)C)c1C.Cl.
What is the InChIKey of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]propan-2-amine;hydrochloride?
The InChIKey is NUFPLVVHFXRWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3.ClH/c1-6-14-10(5)11(9(4)13-14)7-12-8(2)3;/h8,12H,6-7H2,1-5H3;1H.
What are the key properties of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]propan-2-amine;hydrochloride?
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]propan-2-amine;hydrochloride has a molecular weight of 231.77 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]propan-2-amine;hydrochloride is sourced from PubChem (CID 75530696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).