5-piperidin-4-yl-1H-pyrazol-3-amine;hydrochloride

C8H15ClN4 — CID 118020308

IUPAC5-piperidin-4-yl-1H-pyrazol-3-amine;hydrochloride
SMILESCl.Nc1cc(C2CCNCC2)[nH]n1
InChIInChI=1S/C8H14N4.ClH/c9-8-5-7(11-12-8)6-1-3-10-4-2-6;/h5-6,10H,1-4H2,(H3,9,11,12);1H
InChIKeyPHBKJGJFBHPSFV-UHFFFAOYSA-N
MW202.69 g/mol
LogP0.88
Rot. Bonds1

About 5-piperidin-4-yl-1H-pyrazol-3-amine;hydrochloride

5-piperidin-4-yl-1H-pyrazol-3-amine;hydrochloride (PubChem CID 118020308) has the molecular formula C8H15ClN4 and a molecular weight of 202.69 g/mol. Its IUPAC name is 5-piperidin-4-yl-1H-pyrazol-3-amine;hydrochloride.

Molecular Properties

Compound Name5-piperidin-4-yl-1H-pyrazol-3-amine;hydrochloride
PubChem CID118020308
Molecular FormulaC8H15ClN4
Molecular Weight202.69 g/mol
Exact Mass202.10
IUPAC Name5-piperidin-4-yl-1H-pyrazol-3-amine;hydrochloride
SMILESCl.Nc1cc(C2CCNCC2)[nH]n1
InChIInChI=1S/C8H14N4.ClH/c9-8-5-7(11-12-8)6-1-3-10-4-2-6;/h5-6,10H,1-4H2,(H3,9,11,12);1H
InChIKeyPHBKJGJFBHPSFV-UHFFFAOYSA-N
XLogP0.88
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.69
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-piperidin-4-yl-1H-pyrazol-3-amine;hydrochloride?
The IUPAC name of 5-piperidin-4-yl-1H-pyrazol-3-amine;hydrochloride (CID 118020308) is 5-piperidin-4-yl-1H-pyrazol-3-amine;hydrochloride.
What is the SMILES notation for 5-piperidin-4-yl-1H-pyrazol-3-amine;hydrochloride?
The canonical SMILES for 5-piperidin-4-yl-1H-pyrazol-3-amine;hydrochloride is Cl.Nc1cc(C2CCNCC2)[nH]n1.
What is the InChIKey of 5-piperidin-4-yl-1H-pyrazol-3-amine;hydrochloride?
The InChIKey is PHBKJGJFBHPSFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4.ClH/c9-8-5-7(11-12-8)6-1-3-10-4-2-6;/h5-6,10H,1-4H2,(H3,9,11,12);1H.
What are the key properties of 5-piperidin-4-yl-1H-pyrazol-3-amine;hydrochloride?
5-piperidin-4-yl-1H-pyrazol-3-amine;hydrochloride has a molecular weight of 202.69 g/mol, XLogP of 0.88, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperidin-4-yl-1H-pyrazol-3-amine;hydrochloride is sourced from PubChem (CID 118020308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).