4-chloro-5-methyl-1H-pyrazol-3-amine;hydrochloride

C4H7Cl2N3 — CID 2827048

IUPAC4-chloro-5-methyl-1H-pyrazol-3-amine;hydrochloride
SMILESCc1[nH]nc(N)c1Cl.Cl
InChIInChI=1S/C4H6ClN3.ClH/c1-2-3(5)4(6)8-7-2;/h1H3,(H3,6,7,8);1H
InChIKeyCBONAWLPWGJTPO-UHFFFAOYSA-N
MW168.03 g/mol
LogP1.38
Rot. Bonds

About 4-chloro-5-methyl-1H-pyrazol-3-amine;hydrochloride

4-chloro-5-methyl-1H-pyrazol-3-amine;hydrochloride (PubChem CID 2827048) has the molecular formula C4H7Cl2N3 and a molecular weight of 168.03 g/mol. Its IUPAC name is 4-chloro-5-methyl-1H-pyrazol-3-amine;hydrochloride.

Molecular Properties

Compound Name4-chloro-5-methyl-1H-pyrazol-3-amine;hydrochloride
PubChem CID2827048
Molecular FormulaC4H7Cl2N3
Molecular Weight168.03 g/mol
Exact Mass167.00
IUPAC Name4-chloro-5-methyl-1H-pyrazol-3-amine;hydrochloride
SMILESCc1[nH]nc(N)c1Cl.Cl
InChIInChI=1S/C4H6ClN3.ClH/c1-2-3(5)4(6)8-7-2;/h1H3,(H3,6,7,8);1H
InChIKeyCBONAWLPWGJTPO-UHFFFAOYSA-N
XLogP1.38
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.03
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-methyl-1H-pyrazol-3-amine;hydrochloride?
The IUPAC name of 4-chloro-5-methyl-1H-pyrazol-3-amine;hydrochloride (CID 2827048) is 4-chloro-5-methyl-1H-pyrazol-3-amine;hydrochloride.
What is the SMILES notation for 4-chloro-5-methyl-1H-pyrazol-3-amine;hydrochloride?
The canonical SMILES for 4-chloro-5-methyl-1H-pyrazol-3-amine;hydrochloride is Cc1[nH]nc(N)c1Cl.Cl.
What is the InChIKey of 4-chloro-5-methyl-1H-pyrazol-3-amine;hydrochloride?
The InChIKey is CBONAWLPWGJTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6ClN3.ClH/c1-2-3(5)4(6)8-7-2;/h1H3,(H3,6,7,8);1H.
What are the key properties of 4-chloro-5-methyl-1H-pyrazol-3-amine;hydrochloride?
4-chloro-5-methyl-1H-pyrazol-3-amine;hydrochloride has a molecular weight of 168.03 g/mol, XLogP of 1.38, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-methyl-1H-pyrazol-3-amine;hydrochloride is sourced from PubChem (CID 2827048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).