1-(2-chlorophenyl)-5-propan-2-ylpyrazol-4-amine;hydrochloride

C12H15Cl2N3 — CID 86775375

IUPAC1-(2-chlorophenyl)-5-propan-2-ylpyrazol-4-amine;hydrochloride
SMILESCC(C)c1c(N)cnn1-c1ccccc1Cl.Cl
InChIInChI=1S/C12H14ClN3.ClH/c1-8(2)12-10(14)7-15-16(12)11-6-4-3-5-9(11)13;/h3-8H,14H2,1-2H3;1H
InChIKeyRYCLMPODHPUGED-UHFFFAOYSA-N
MW272.18 g/mol
LogP3.65
Rot. Bonds2

About 1-(2-chlorophenyl)-5-propan-2-ylpyrazol-4-amine;hydrochloride

1-(2-chlorophenyl)-5-propan-2-ylpyrazol-4-amine;hydrochloride (PubChem CID 86775375) has the molecular formula C12H15Cl2N3 and a molecular weight of 272.18 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-5-propan-2-ylpyrazol-4-amine;hydrochloride.

Molecular Properties

Compound Name1-(2-chlorophenyl)-5-propan-2-ylpyrazol-4-amine;hydrochloride
PubChem CID86775375
Molecular FormulaC12H15Cl2N3
Molecular Weight272.18 g/mol
Exact Mass271.06
IUPAC Name1-(2-chlorophenyl)-5-propan-2-ylpyrazol-4-amine;hydrochloride
SMILESCC(C)c1c(N)cnn1-c1ccccc1Cl.Cl
InChIInChI=1S/C12H14ClN3.ClH/c1-8(2)12-10(14)7-15-16(12)11-6-4-3-5-9(11)13;/h3-8H,14H2,1-2H3;1H
InChIKeyRYCLMPODHPUGED-UHFFFAOYSA-N
XLogP3.65
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.18
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-5-propan-2-ylpyrazol-4-amine;hydrochloride?
The IUPAC name of 1-(2-chlorophenyl)-5-propan-2-ylpyrazol-4-amine;hydrochloride (CID 86775375) is 1-(2-chlorophenyl)-5-propan-2-ylpyrazol-4-amine;hydrochloride.
What is the SMILES notation for 1-(2-chlorophenyl)-5-propan-2-ylpyrazol-4-amine;hydrochloride?
The canonical SMILES for 1-(2-chlorophenyl)-5-propan-2-ylpyrazol-4-amine;hydrochloride is CC(C)c1c(N)cnn1-c1ccccc1Cl.Cl.
What is the InChIKey of 1-(2-chlorophenyl)-5-propan-2-ylpyrazol-4-amine;hydrochloride?
The InChIKey is RYCLMPODHPUGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3.ClH/c1-8(2)12-10(14)7-15-16(12)11-6-4-3-5-9(11)13;/h3-8H,14H2,1-2H3;1H.
What are the key properties of 1-(2-chlorophenyl)-5-propan-2-ylpyrazol-4-amine;hydrochloride?
1-(2-chlorophenyl)-5-propan-2-ylpyrazol-4-amine;hydrochloride has a molecular weight of 272.18 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-5-propan-2-ylpyrazol-4-amine;hydrochloride is sourced from PubChem (CID 86775375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).