4-methyl-N-(2-phenylethyl)-1-propan-2-ylpyrazol-3-amine;hydrochloride

C15H22ClN3 — CID 126967120

IUPAC4-methyl-N-(2-phenylethyl)-1-propan-2-ylpyrazol-3-amine;hydrochloride
SMILESCc1cn(C(C)C)nc1NCCc1ccccc1.Cl
InChIInChI=1S/C15H21N3.ClH/c1-12(2)18-11-13(3)15(17-18)16-10-9-14-7-5-4-6-8-14;/h4-8,11-12H,9-10H2,1-3H3,(H,16,17);1H
InChIKeyQDQZNYVSUXPNHG-UHFFFAOYSA-N
MW279.81 g/mol
LogP3.85
Rot. Bonds5

About 4-methyl-N-(2-phenylethyl)-1-propan-2-ylpyrazol-3-amine;hydrochloride

4-methyl-N-(2-phenylethyl)-1-propan-2-ylpyrazol-3-amine;hydrochloride (PubChem CID 126967120) has the molecular formula C15H22ClN3 and a molecular weight of 279.81 g/mol. Its IUPAC name is 4-methyl-N-(2-phenylethyl)-1-propan-2-ylpyrazol-3-amine;hydrochloride.

Molecular Properties

Compound Name4-methyl-N-(2-phenylethyl)-1-propan-2-ylpyrazol-3-amine;hydrochloride
PubChem CID126967120
Molecular FormulaC15H22ClN3
Molecular Weight279.81 g/mol
Exact Mass279.15
IUPAC Name4-methyl-N-(2-phenylethyl)-1-propan-2-ylpyrazol-3-amine;hydrochloride
SMILESCc1cn(C(C)C)nc1NCCc1ccccc1.Cl
InChIInChI=1S/C15H21N3.ClH/c1-12(2)18-11-13(3)15(17-18)16-10-9-14-7-5-4-6-8-14;/h4-8,11-12H,9-10H2,1-3H3,(H,16,17);1H
InChIKeyQDQZNYVSUXPNHG-UHFFFAOYSA-N
XLogP3.85
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-phenylethyl)-1-propan-2-ylpyrazol-3-amine;hydrochloride?
The IUPAC name of 4-methyl-N-(2-phenylethyl)-1-propan-2-ylpyrazol-3-amine;hydrochloride (CID 126967120) is 4-methyl-N-(2-phenylethyl)-1-propan-2-ylpyrazol-3-amine;hydrochloride.
What is the SMILES notation for 4-methyl-N-(2-phenylethyl)-1-propan-2-ylpyrazol-3-amine;hydrochloride?
The canonical SMILES for 4-methyl-N-(2-phenylethyl)-1-propan-2-ylpyrazol-3-amine;hydrochloride is Cc1cn(C(C)C)nc1NCCc1ccccc1.Cl.
What is the InChIKey of 4-methyl-N-(2-phenylethyl)-1-propan-2-ylpyrazol-3-amine;hydrochloride?
The InChIKey is QDQZNYVSUXPNHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3.ClH/c1-12(2)18-11-13(3)15(17-18)16-10-9-14-7-5-4-6-8-14;/h4-8,11-12H,9-10H2,1-3H3,(H,16,17);1H.
What are the key properties of 4-methyl-N-(2-phenylethyl)-1-propan-2-ylpyrazol-3-amine;hydrochloride?
4-methyl-N-(2-phenylethyl)-1-propan-2-ylpyrazol-3-amine;hydrochloride has a molecular weight of 279.81 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-phenylethyl)-1-propan-2-ylpyrazol-3-amine;hydrochloride is sourced from PubChem (CID 126967120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).