4-chloro-1H-pyrazol-5-amine;hydrochloride

C3H5Cl2N3 — CID 50999033

IUPAC4-chloro-1H-pyrazol-5-amine;hydrochloride
SMILESCl.Nc1[nH]ncc1Cl
InChIInChI=1S/C3H4ClN3.ClH/c4-2-1-6-7-3(2)5;/h1H,(H3,5,6,7);1H
InChIKeyHUXAABJWZRBPAU-UHFFFAOYSA-N
MW154.00 g/mol
LogP1.07
Rot. Bonds

About 4-chloro-1H-pyrazol-5-amine;hydrochloride

4-chloro-1H-pyrazol-5-amine;hydrochloride (PubChem CID 50999033) has the molecular formula C3H5Cl2N3 and a molecular weight of 154.00 g/mol. Its IUPAC name is 4-chloro-1H-pyrazol-5-amine;hydrochloride.

Molecular Properties

Compound Name4-chloro-1H-pyrazol-5-amine;hydrochloride
PubChem CID50999033
Molecular FormulaC3H5Cl2N3
Molecular Weight154.00 g/mol
Exact Mass152.99
IUPAC Name4-chloro-1H-pyrazol-5-amine;hydrochloride
SMILESCl.Nc1[nH]ncc1Cl
InChIInChI=1S/C3H4ClN3.ClH/c4-2-1-6-7-3(2)5;/h1H,(H3,5,6,7);1H
InChIKeyHUXAABJWZRBPAU-UHFFFAOYSA-N
XLogP1.07
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.00
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1H-pyrazol-5-amine;hydrochloride?
The IUPAC name of 4-chloro-1H-pyrazol-5-amine;hydrochloride (CID 50999033) is 4-chloro-1H-pyrazol-5-amine;hydrochloride.
What is the SMILES notation for 4-chloro-1H-pyrazol-5-amine;hydrochloride?
The canonical SMILES for 4-chloro-1H-pyrazol-5-amine;hydrochloride is Cl.Nc1[nH]ncc1Cl.
What is the InChIKey of 4-chloro-1H-pyrazol-5-amine;hydrochloride?
The InChIKey is HUXAABJWZRBPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4ClN3.ClH/c4-2-1-6-7-3(2)5;/h1H,(H3,5,6,7);1H.
What are the key properties of 4-chloro-1H-pyrazol-5-amine;hydrochloride?
4-chloro-1H-pyrazol-5-amine;hydrochloride has a molecular weight of 154.00 g/mol, XLogP of 1.07, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1H-pyrazol-5-amine;hydrochloride is sourced from PubChem (CID 50999033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).