5-methyl-1H-pyrazol-3-amine;piperidin-3-ol;hydrochloride

C9H19ClN4O — CID 70022962

IUPAC5-methyl-1H-pyrazol-3-amine;piperidin-3-ol;hydrochloride
SMILESCc1cc(N)n[nH]1.Cl.OC1CCCNC1
InChIInChI=1S/C5H11NO.C4H7N3.ClH/c7-5-2-1-3-6-4-5;1-3-2-4(5)7-6-3;/h5-7H,1-4H2;2H,1H3,(H3,5,6,7);1H
InChIKeyFZCRNIQZYDNHHK-UHFFFAOYSA-N
MW234.73 g/mol
LogP0.45
Rot. Bonds

About 5-methyl-1H-pyrazol-3-amine;piperidin-3-ol;hydrochloride

5-methyl-1H-pyrazol-3-amine;piperidin-3-ol;hydrochloride (PubChem CID 70022962) has the molecular formula C9H19ClN4O and a molecular weight of 234.73 g/mol. Its IUPAC name is 5-methyl-1H-pyrazol-3-amine;piperidin-3-ol;hydrochloride.

Molecular Properties

Compound Name5-methyl-1H-pyrazol-3-amine;piperidin-3-ol;hydrochloride
PubChem CID70022962
Molecular FormulaC9H19ClN4O
Molecular Weight234.73 g/mol
Exact Mass234.12
IUPAC Name5-methyl-1H-pyrazol-3-amine;piperidin-3-ol;hydrochloride
SMILESCc1cc(N)n[nH]1.Cl.OC1CCCNC1
InChIInChI=1S/C5H11NO.C4H7N3.ClH/c7-5-2-1-3-6-4-5;1-3-2-4(5)7-6-3;/h5-7H,1-4H2;2H,1H3,(H3,5,6,7);1H
InChIKeyFZCRNIQZYDNHHK-UHFFFAOYSA-N
XLogP0.45
TPSA86.96 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.73
LogP ≤ 50.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1H-pyrazol-3-amine;piperidin-3-ol;hydrochloride?
The IUPAC name of 5-methyl-1H-pyrazol-3-amine;piperidin-3-ol;hydrochloride (CID 70022962) is 5-methyl-1H-pyrazol-3-amine;piperidin-3-ol;hydrochloride.
What is the SMILES notation for 5-methyl-1H-pyrazol-3-amine;piperidin-3-ol;hydrochloride?
The canonical SMILES for 5-methyl-1H-pyrazol-3-amine;piperidin-3-ol;hydrochloride is Cc1cc(N)n[nH]1.Cl.OC1CCCNC1.
What is the InChIKey of 5-methyl-1H-pyrazol-3-amine;piperidin-3-ol;hydrochloride?
The InChIKey is FZCRNIQZYDNHHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO.C4H7N3.ClH/c7-5-2-1-3-6-4-5;1-3-2-4(5)7-6-3;/h5-7H,1-4H2;2H,1H3,(H3,5,6,7);1H.
What are the key properties of 5-methyl-1H-pyrazol-3-amine;piperidin-3-ol;hydrochloride?
5-methyl-1H-pyrazol-3-amine;piperidin-3-ol;hydrochloride has a molecular weight of 234.73 g/mol, XLogP of 0.45, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1H-pyrazol-3-amine;piperidin-3-ol;hydrochloride is sourced from PubChem (CID 70022962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).