(2-propan-2-ylpyrazol-3-yl)methanamine;hydrochloride

C7H14ClN3 — CID 90486238

IUPAC(2-propan-2-ylpyrazol-3-yl)methanamine;hydrochloride
SMILESCC(C)n1nccc1CN.Cl
InChIInChI=1S/C7H13N3.ClH/c1-6(2)10-7(5-8)3-4-9-10;/h3-4,6H,5,8H2,1-2H3;1H
InChIKeyQJHWGCVIHSZLJQ-UHFFFAOYSA-N
MW175.66 g/mol
LogP1.34
Rot. Bonds2

About (2-propan-2-ylpyrazol-3-yl)methanamine;hydrochloride

(2-propan-2-ylpyrazol-3-yl)methanamine;hydrochloride (PubChem CID 90486238) has the molecular formula C7H14ClN3 and a molecular weight of 175.66 g/mol. Its IUPAC name is (2-propan-2-ylpyrazol-3-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(2-propan-2-ylpyrazol-3-yl)methanamine;hydrochloride
PubChem CID90486238
Molecular FormulaC7H14ClN3
Molecular Weight175.66 g/mol
Exact Mass175.09
IUPAC Name(2-propan-2-ylpyrazol-3-yl)methanamine;hydrochloride
SMILESCC(C)n1nccc1CN.Cl
InChIInChI=1S/C7H13N3.ClH/c1-6(2)10-7(5-8)3-4-9-10;/h3-4,6H,5,8H2,1-2H3;1H
InChIKeyQJHWGCVIHSZLJQ-UHFFFAOYSA-N
XLogP1.34
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.66
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-propan-2-ylpyrazol-3-yl)methanamine;hydrochloride?
The IUPAC name of (2-propan-2-ylpyrazol-3-yl)methanamine;hydrochloride (CID 90486238) is (2-propan-2-ylpyrazol-3-yl)methanamine;hydrochloride.
What is the SMILES notation for (2-propan-2-ylpyrazol-3-yl)methanamine;hydrochloride?
The canonical SMILES for (2-propan-2-ylpyrazol-3-yl)methanamine;hydrochloride is CC(C)n1nccc1CN.Cl.
What is the InChIKey of (2-propan-2-ylpyrazol-3-yl)methanamine;hydrochloride?
The InChIKey is QJHWGCVIHSZLJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3.ClH/c1-6(2)10-7(5-8)3-4-9-10;/h3-4,6H,5,8H2,1-2H3;1H.
What are the key properties of (2-propan-2-ylpyrazol-3-yl)methanamine;hydrochloride?
(2-propan-2-ylpyrazol-3-yl)methanamine;hydrochloride has a molecular weight of 175.66 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-propan-2-ylpyrazol-3-yl)methanamine;hydrochloride is sourced from PubChem (CID 90486238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).