3-methyl-1-propan-2-ylpyrazol-4-amine;hydrochloride

C7H14ClN3 — CID 68673989

IUPAC3-methyl-1-propan-2-ylpyrazol-4-amine;hydrochloride
SMILESCc1nn(C(C)C)cc1N.Cl
InChIInChI=1S/C7H13N3.ClH/c1-5(2)10-4-7(8)6(3)9-10;/h4-5H,8H2,1-3H3;1H
InChIKeyDZJRGWHZWWJFHF-UHFFFAOYSA-N
MW175.66 g/mol
LogP1.78
Rot. Bonds1

About 3-methyl-1-propan-2-ylpyrazol-4-amine;hydrochloride

3-methyl-1-propan-2-ylpyrazol-4-amine;hydrochloride (PubChem CID 68673989) has the molecular formula C7H14ClN3 and a molecular weight of 175.66 g/mol. Its IUPAC name is 3-methyl-1-propan-2-ylpyrazol-4-amine;hydrochloride.

Molecular Properties

Compound Name3-methyl-1-propan-2-ylpyrazol-4-amine;hydrochloride
PubChem CID68673989
Molecular FormulaC7H14ClN3
Molecular Weight175.66 g/mol
Exact Mass175.09
IUPAC Name3-methyl-1-propan-2-ylpyrazol-4-amine;hydrochloride
SMILESCc1nn(C(C)C)cc1N.Cl
InChIInChI=1S/C7H13N3.ClH/c1-5(2)10-4-7(8)6(3)9-10;/h4-5H,8H2,1-3H3;1H
InChIKeyDZJRGWHZWWJFHF-UHFFFAOYSA-N
XLogP1.78
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.66
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-propan-2-ylpyrazol-4-amine;hydrochloride?
The IUPAC name of 3-methyl-1-propan-2-ylpyrazol-4-amine;hydrochloride (CID 68673989) is 3-methyl-1-propan-2-ylpyrazol-4-amine;hydrochloride.
What is the SMILES notation for 3-methyl-1-propan-2-ylpyrazol-4-amine;hydrochloride?
The canonical SMILES for 3-methyl-1-propan-2-ylpyrazol-4-amine;hydrochloride is Cc1nn(C(C)C)cc1N.Cl.
What is the InChIKey of 3-methyl-1-propan-2-ylpyrazol-4-amine;hydrochloride?
The InChIKey is DZJRGWHZWWJFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3.ClH/c1-5(2)10-4-7(8)6(3)9-10;/h4-5H,8H2,1-3H3;1H.
What are the key properties of 3-methyl-1-propan-2-ylpyrazol-4-amine;hydrochloride?
3-methyl-1-propan-2-ylpyrazol-4-amine;hydrochloride has a molecular weight of 175.66 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-propan-2-ylpyrazol-4-amine;hydrochloride is sourced from PubChem (CID 68673989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).