1-methyl-5-phenylpyrazol-4-amine;hydrochloride

C10H12ClN3 — CID 3021887

IUPAC1-methyl-5-phenylpyrazol-4-amine;hydrochloride
SMILESCl.Cn1ncc(N)c1-c1ccccc1
InChIInChI=1S/C10H11N3.ClH/c1-13-10(9(11)7-12-13)8-5-3-2-4-6-8;/h2-7H,11H2,1H3;1H
InChIKeyGXHUUFFBNVQWRN-UHFFFAOYSA-N
MW209.68 g/mol
LogP2.09
Rot. Bonds1

About 1-methyl-5-phenylpyrazol-4-amine;hydrochloride

1-methyl-5-phenylpyrazol-4-amine;hydrochloride (PubChem CID 3021887) has the molecular formula C10H12ClN3 and a molecular weight of 209.68 g/mol. Its IUPAC name is 1-methyl-5-phenylpyrazol-4-amine;hydrochloride.

Molecular Properties

Compound Name1-methyl-5-phenylpyrazol-4-amine;hydrochloride
PubChem CID3021887
Molecular FormulaC10H12ClN3
Molecular Weight209.68 g/mol
Exact Mass209.07
IUPAC Name1-methyl-5-phenylpyrazol-4-amine;hydrochloride
SMILESCl.Cn1ncc(N)c1-c1ccccc1
InChIInChI=1S/C10H11N3.ClH/c1-13-10(9(11)7-12-13)8-5-3-2-4-6-8;/h2-7H,11H2,1H3;1H
InChIKeyGXHUUFFBNVQWRN-UHFFFAOYSA-N
XLogP2.09
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.68
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-phenylpyrazol-4-amine;hydrochloride?
The IUPAC name of 1-methyl-5-phenylpyrazol-4-amine;hydrochloride (CID 3021887) is 1-methyl-5-phenylpyrazol-4-amine;hydrochloride.
What is the SMILES notation for 1-methyl-5-phenylpyrazol-4-amine;hydrochloride?
The canonical SMILES for 1-methyl-5-phenylpyrazol-4-amine;hydrochloride is Cl.Cn1ncc(N)c1-c1ccccc1.
What is the InChIKey of 1-methyl-5-phenylpyrazol-4-amine;hydrochloride?
The InChIKey is GXHUUFFBNVQWRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3.ClH/c1-13-10(9(11)7-12-13)8-5-3-2-4-6-8;/h2-7H,11H2,1H3;1H.
What are the key properties of 1-methyl-5-phenylpyrazol-4-amine;hydrochloride?
1-methyl-5-phenylpyrazol-4-amine;hydrochloride has a molecular weight of 209.68 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-phenylpyrazol-4-amine;hydrochloride is sourced from PubChem (CID 3021887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).