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

C6H12ClN3 — CID 53398873

IUPAC4-ethyl-5-methyl-1H-pyrazol-3-amine;hydrochloride
SMILESCCc1c(N)n[nH]c1C.Cl
InChIInChI=1S/C6H11N3.ClH/c1-3-5-4(2)8-9-6(5)7;/h3H2,1-2H3,(H3,7,8,9);1H
InChIKeyVHLJOHMPDPCSHW-UHFFFAOYSA-N
MW161.64 g/mol
LogP1.28
Rot. Bonds1

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

4-ethyl-5-methyl-1H-pyrazol-3-amine;hydrochloride (PubChem CID 53398873) has the molecular formula C6H12ClN3 and a molecular weight of 161.64 g/mol. Its IUPAC name is 4-ethyl-5-methyl-1H-pyrazol-3-amine;hydrochloride.

Molecular Properties

Compound Name4-ethyl-5-methyl-1H-pyrazol-3-amine;hydrochloride
PubChem CID53398873
Molecular FormulaC6H12ClN3
Molecular Weight161.64 g/mol
Exact Mass161.07
IUPAC Name4-ethyl-5-methyl-1H-pyrazol-3-amine;hydrochloride
SMILESCCc1c(N)n[nH]c1C.Cl
InChIInChI=1S/C6H11N3.ClH/c1-3-5-4(2)8-9-6(5)7;/h3H2,1-2H3,(H3,7,8,9);1H
InChIKeyVHLJOHMPDPCSHW-UHFFFAOYSA-N
XLogP1.28
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.64
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-methyl-1H-pyrazol-3-amine;hydrochloride?
The IUPAC name of 4-ethyl-5-methyl-1H-pyrazol-3-amine;hydrochloride (CID 53398873) is 4-ethyl-5-methyl-1H-pyrazol-3-amine;hydrochloride.
What is the SMILES notation for 4-ethyl-5-methyl-1H-pyrazol-3-amine;hydrochloride?
The canonical SMILES for 4-ethyl-5-methyl-1H-pyrazol-3-amine;hydrochloride is CCc1c(N)n[nH]c1C.Cl.
What is the InChIKey of 4-ethyl-5-methyl-1H-pyrazol-3-amine;hydrochloride?
The InChIKey is VHLJOHMPDPCSHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3.ClH/c1-3-5-4(2)8-9-6(5)7;/h3H2,1-2H3,(H3,7,8,9);1H.
What are the key properties of 4-ethyl-5-methyl-1H-pyrazol-3-amine;hydrochloride?
4-ethyl-5-methyl-1H-pyrazol-3-amine;hydrochloride has a molecular weight of 161.64 g/mol, XLogP of 1.28, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-methyl-1H-pyrazol-3-amine;hydrochloride is sourced from PubChem (CID 53398873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).