1-ethyl-4-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyrazol-3-amine;hydrochloride

C11H18ClN5 — CID 126965584

IUPAC1-ethyl-4-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyrazol-3-amine;hydrochloride
SMILESCCn1cc(C)c(NCc2ccn(C)n2)n1.Cl
InChIInChI=1S/C11H17N5.ClH/c1-4-16-8-9(2)11(14-16)12-7-10-5-6-15(3)13-10;/h5-6,8H,4,7H2,1-3H3,(H,12,14);1H
InChIKeyZNKRJQXQCJRLSB-UHFFFAOYSA-N
MW255.75 g/mol
LogP1.98
Rot. Bonds4

About 1-ethyl-4-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyrazol-3-amine;hydrochloride

1-ethyl-4-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyrazol-3-amine;hydrochloride (PubChem CID 126965584) has the molecular formula C11H18ClN5 and a molecular weight of 255.75 g/mol. Its IUPAC name is 1-ethyl-4-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyrazol-3-amine;hydrochloride.

Molecular Properties

Compound Name1-ethyl-4-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyrazol-3-amine;hydrochloride
PubChem CID126965584
Molecular FormulaC11H18ClN5
Molecular Weight255.75 g/mol
Exact Mass255.13
IUPAC Name1-ethyl-4-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyrazol-3-amine;hydrochloride
SMILESCCn1cc(C)c(NCc2ccn(C)n2)n1.Cl
InChIInChI=1S/C11H17N5.ClH/c1-4-16-8-9(2)11(14-16)12-7-10-5-6-15(3)13-10;/h5-6,8H,4,7H2,1-3H3,(H,12,14);1H
InChIKeyZNKRJQXQCJRLSB-UHFFFAOYSA-N
XLogP1.98
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyrazol-3-amine;hydrochloride?
The IUPAC name of 1-ethyl-4-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyrazol-3-amine;hydrochloride (CID 126965584) is 1-ethyl-4-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyrazol-3-amine;hydrochloride.
What is the SMILES notation for 1-ethyl-4-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyrazol-3-amine;hydrochloride?
The canonical SMILES for 1-ethyl-4-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyrazol-3-amine;hydrochloride is CCn1cc(C)c(NCc2ccn(C)n2)n1.Cl.
What is the InChIKey of 1-ethyl-4-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyrazol-3-amine;hydrochloride?
The InChIKey is ZNKRJQXQCJRLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5.ClH/c1-4-16-8-9(2)11(14-16)12-7-10-5-6-15(3)13-10;/h5-6,8H,4,7H2,1-3H3,(H,12,14);1H.
What are the key properties of 1-ethyl-4-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyrazol-3-amine;hydrochloride?
1-ethyl-4-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyrazol-3-amine;hydrochloride has a molecular weight of 255.75 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyrazol-3-amine;hydrochloride is sourced from PubChem (CID 126965584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).