1-phenyl-5-propan-2-ylpyrazol-4-amine;hydrochloride

C12H16ClN3 — CID 86775415

IUPAC1-phenyl-5-propan-2-ylpyrazol-4-amine;hydrochloride
SMILESCC(C)c1c(N)cnn1-c1ccccc1.Cl
InChIInChI=1S/C12H15N3.ClH/c1-9(2)12-11(13)8-14-15(12)10-6-4-3-5-7-10;/h3-9H,13H2,1-2H3;1H
InChIKeyYSDSXTIWJXRGBI-UHFFFAOYSA-N
MW237.73 g/mol
LogP3.00
Rot. Bonds2

About 1-phenyl-5-propan-2-ylpyrazol-4-amine;hydrochloride

1-phenyl-5-propan-2-ylpyrazol-4-amine;hydrochloride (PubChem CID 86775415) has the molecular formula C12H16ClN3 and a molecular weight of 237.73 g/mol. Its IUPAC name is 1-phenyl-5-propan-2-ylpyrazol-4-amine;hydrochloride.

Molecular Properties

Compound Name1-phenyl-5-propan-2-ylpyrazol-4-amine;hydrochloride
PubChem CID86775415
Molecular FormulaC12H16ClN3
Molecular Weight237.73 g/mol
Exact Mass237.10
IUPAC Name1-phenyl-5-propan-2-ylpyrazol-4-amine;hydrochloride
SMILESCC(C)c1c(N)cnn1-c1ccccc1.Cl
InChIInChI=1S/C12H15N3.ClH/c1-9(2)12-11(13)8-14-15(12)10-6-4-3-5-7-10;/h3-9H,13H2,1-2H3;1H
InChIKeyYSDSXTIWJXRGBI-UHFFFAOYSA-N
XLogP3.00
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-5-propan-2-ylpyrazol-4-amine;hydrochloride?
The IUPAC name of 1-phenyl-5-propan-2-ylpyrazol-4-amine;hydrochloride (CID 86775415) is 1-phenyl-5-propan-2-ylpyrazol-4-amine;hydrochloride.
What is the SMILES notation for 1-phenyl-5-propan-2-ylpyrazol-4-amine;hydrochloride?
The canonical SMILES for 1-phenyl-5-propan-2-ylpyrazol-4-amine;hydrochloride is CC(C)c1c(N)cnn1-c1ccccc1.Cl.
What is the InChIKey of 1-phenyl-5-propan-2-ylpyrazol-4-amine;hydrochloride?
The InChIKey is YSDSXTIWJXRGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3.ClH/c1-9(2)12-11(13)8-14-15(12)10-6-4-3-5-7-10;/h3-9H,13H2,1-2H3;1H.
What are the key properties of 1-phenyl-5-propan-2-ylpyrazol-4-amine;hydrochloride?
1-phenyl-5-propan-2-ylpyrazol-4-amine;hydrochloride has a molecular weight of 237.73 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-5-propan-2-ylpyrazol-4-amine;hydrochloride is sourced from PubChem (CID 86775415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).