1-methyl-5-propan-2-ylpyrazol-4-amine;dihydrochloride

C7H15Cl2N3 — CID 86811830

IUPAC1-methyl-5-propan-2-ylpyrazol-4-amine;dihydrochloride
SMILESCC(C)c1c(N)cnn1C.Cl.Cl
InChIInChI=1S/C7H13N3.2ClH/c1-5(2)7-6(8)4-9-10(7)3;;/h4-5H,8H2,1-3H3;2*1H
InChIKeyUSFNZGLAJGNRAM-UHFFFAOYSA-N
MW212.12 g/mol
LogP1.97
Rot. Bonds1

About 1-methyl-5-propan-2-ylpyrazol-4-amine;dihydrochloride

1-methyl-5-propan-2-ylpyrazol-4-amine;dihydrochloride (PubChem CID 86811830) has the molecular formula C7H15Cl2N3 and a molecular weight of 212.12 g/mol. Its IUPAC name is 1-methyl-5-propan-2-ylpyrazol-4-amine;dihydrochloride.

Molecular Properties

Compound Name1-methyl-5-propan-2-ylpyrazol-4-amine;dihydrochloride
PubChem CID86811830
Molecular FormulaC7H15Cl2N3
Molecular Weight212.12 g/mol
Exact Mass211.06
IUPAC Name1-methyl-5-propan-2-ylpyrazol-4-amine;dihydrochloride
SMILESCC(C)c1c(N)cnn1C.Cl.Cl
InChIInChI=1S/C7H13N3.2ClH/c1-5(2)7-6(8)4-9-10(7)3;;/h4-5H,8H2,1-3H3;2*1H
InChIKeyUSFNZGLAJGNRAM-UHFFFAOYSA-N
XLogP1.97
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.12
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-propan-2-ylpyrazol-4-amine;dihydrochloride?
The IUPAC name of 1-methyl-5-propan-2-ylpyrazol-4-amine;dihydrochloride (CID 86811830) is 1-methyl-5-propan-2-ylpyrazol-4-amine;dihydrochloride.
What is the SMILES notation for 1-methyl-5-propan-2-ylpyrazol-4-amine;dihydrochloride?
The canonical SMILES for 1-methyl-5-propan-2-ylpyrazol-4-amine;dihydrochloride is CC(C)c1c(N)cnn1C.Cl.Cl.
What is the InChIKey of 1-methyl-5-propan-2-ylpyrazol-4-amine;dihydrochloride?
The InChIKey is USFNZGLAJGNRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3.2ClH/c1-5(2)7-6(8)4-9-10(7)3;;/h4-5H,8H2,1-3H3;2*1H.
What are the key properties of 1-methyl-5-propan-2-ylpyrazol-4-amine;dihydrochloride?
1-methyl-5-propan-2-ylpyrazol-4-amine;dihydrochloride has a molecular weight of 212.12 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-propan-2-ylpyrazol-4-amine;dihydrochloride is sourced from PubChem (CID 86811830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).