2-methyl-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]propan-1-amine;hydrochloride

C12H24ClN3 — CID 126965352

IUPAC2-methyl-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]propan-1-amine;hydrochloride
SMILESCCCn1cc(CNCC(C)C)c(C)n1.Cl
InChIInChI=1S/C12H23N3.ClH/c1-5-6-15-9-12(11(4)14-15)8-13-7-10(2)3;/h9-10,13H,5-8H2,1-4H3;1H
InChIKeyDAUWFPJWRGHOSL-UHFFFAOYSA-N
MW245.80 g/mol
LogP2.77
Rot. Bonds6

About 2-methyl-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]propan-1-amine;hydrochloride

2-methyl-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]propan-1-amine;hydrochloride (PubChem CID 126965352) has the molecular formula C12H24ClN3 and a molecular weight of 245.80 g/mol. Its IUPAC name is 2-methyl-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]propan-1-amine;hydrochloride.

Molecular Properties

Compound Name2-methyl-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]propan-1-amine;hydrochloride
PubChem CID126965352
Molecular FormulaC12H24ClN3
Molecular Weight245.80 g/mol
Exact Mass245.17
IUPAC Name2-methyl-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]propan-1-amine;hydrochloride
SMILESCCCn1cc(CNCC(C)C)c(C)n1.Cl
InChIInChI=1S/C12H23N3.ClH/c1-5-6-15-9-12(11(4)14-15)8-13-7-10(2)3;/h9-10,13H,5-8H2,1-4H3;1H
InChIKeyDAUWFPJWRGHOSL-UHFFFAOYSA-N
XLogP2.77
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.80
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]propan-1-amine;hydrochloride?
The IUPAC name of 2-methyl-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]propan-1-amine;hydrochloride (CID 126965352) is 2-methyl-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]propan-1-amine;hydrochloride.
What is the SMILES notation for 2-methyl-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]propan-1-amine;hydrochloride?
The canonical SMILES for 2-methyl-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]propan-1-amine;hydrochloride is CCCn1cc(CNCC(C)C)c(C)n1.Cl.
What is the InChIKey of 2-methyl-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]propan-1-amine;hydrochloride?
The InChIKey is DAUWFPJWRGHOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3.ClH/c1-5-6-15-9-12(11(4)14-15)8-13-7-10(2)3;/h9-10,13H,5-8H2,1-4H3;1H.
What are the key properties of 2-methyl-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]propan-1-amine;hydrochloride?
2-methyl-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]propan-1-amine;hydrochloride has a molecular weight of 245.80 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]propan-1-amine;hydrochloride is sourced from PubChem (CID 126965352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).