3-(4-phenylpyrazol-1-yl)propan-1-amine;hydrochloride

C12H16ClN3 — CID 164608398

IUPAC3-(4-phenylpyrazol-1-yl)propan-1-amine;hydrochloride
SMILESCl.NCCCn1cc(-c2ccccc2)cn1
InChIInChI=1S/C12H15N3.ClH/c13-7-4-8-15-10-12(9-14-15)11-5-2-1-3-6-11;/h1-3,5-6,9-10H,4,7-8,13H2;1H
InChIKeyRDVYYMGHLPZKJO-UHFFFAOYSA-N
MW237.73 g/mol
LogP2.32
Rot. Bonds4

About 3-(4-phenylpyrazol-1-yl)propan-1-amine;hydrochloride

3-(4-phenylpyrazol-1-yl)propan-1-amine;hydrochloride (PubChem CID 164608398) has the molecular formula C12H16ClN3 and a molecular weight of 237.73 g/mol. Its IUPAC name is 3-(4-phenylpyrazol-1-yl)propan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-(4-phenylpyrazol-1-yl)propan-1-amine;hydrochloride
PubChem CID164608398
Molecular FormulaC12H16ClN3
Molecular Weight237.73 g/mol
Exact Mass237.10
IUPAC Name3-(4-phenylpyrazol-1-yl)propan-1-amine;hydrochloride
SMILESCl.NCCCn1cc(-c2ccccc2)cn1
InChIInChI=1S/C12H15N3.ClH/c13-7-4-8-15-10-12(9-14-15)11-5-2-1-3-6-11;/h1-3,5-6,9-10H,4,7-8,13H2;1H
InChIKeyRDVYYMGHLPZKJO-UHFFFAOYSA-N
XLogP2.32
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-phenylpyrazol-1-yl)propan-1-amine;hydrochloride?
The IUPAC name of 3-(4-phenylpyrazol-1-yl)propan-1-amine;hydrochloride (CID 164608398) is 3-(4-phenylpyrazol-1-yl)propan-1-amine;hydrochloride.
What is the SMILES notation for 3-(4-phenylpyrazol-1-yl)propan-1-amine;hydrochloride?
The canonical SMILES for 3-(4-phenylpyrazol-1-yl)propan-1-amine;hydrochloride is Cl.NCCCn1cc(-c2ccccc2)cn1.
What is the InChIKey of 3-(4-phenylpyrazol-1-yl)propan-1-amine;hydrochloride?
The InChIKey is RDVYYMGHLPZKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3.ClH/c13-7-4-8-15-10-12(9-14-15)11-5-2-1-3-6-11;/h1-3,5-6,9-10H,4,7-8,13H2;1H.
What are the key properties of 3-(4-phenylpyrazol-1-yl)propan-1-amine;hydrochloride?
3-(4-phenylpyrazol-1-yl)propan-1-amine;hydrochloride has a molecular weight of 237.73 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-phenylpyrazol-1-yl)propan-1-amine;hydrochloride is sourced from PubChem (CID 164608398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).