1-[(5-phenyl-1H-pyrazol-4-yl)methylamino]propan-2-ol

C13H17N3O — CID 3969875

IUPAC1-[(5-phenyl-1H-pyrazol-4-yl)methylamino]propan-2-ol
SMILESCC(O)CNCc1cn[nH]c1-c1ccccc1
InChIInChI=1S/C13H17N3O/c1-10(17)7-14-8-12-9-15-16-13(12)11-5-3-2-4-6-11/h2-6,9-10,14,17H,7-8H2,1H3,(H,15,16)
InChIKeyGTRXSJFFILMIQM-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.55
Rot. Bonds5

About 1-[(5-phenyl-1H-pyrazol-4-yl)methylamino]propan-2-ol

1-[(5-phenyl-1H-pyrazol-4-yl)methylamino]propan-2-ol (PubChem CID 3969875) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-[(5-phenyl-1H-pyrazol-4-yl)methylamino]propan-2-ol.

Molecular Properties

Compound Name1-[(5-phenyl-1H-pyrazol-4-yl)methylamino]propan-2-ol
PubChem CID3969875
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name1-[(5-phenyl-1H-pyrazol-4-yl)methylamino]propan-2-ol
SMILESCC(O)CNCc1cn[nH]c1-c1ccccc1
InChIInChI=1S/C13H17N3O/c1-10(17)7-14-8-12-9-15-16-13(12)11-5-3-2-4-6-11/h2-6,9-10,14,17H,7-8H2,1H3,(H,15,16)
InChIKeyGTRXSJFFILMIQM-UHFFFAOYSA-N
XLogP1.55
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-phenyl-1H-pyrazol-4-yl)methylamino]propan-2-ol?
The IUPAC name of 1-[(5-phenyl-1H-pyrazol-4-yl)methylamino]propan-2-ol (CID 3969875) is 1-[(5-phenyl-1H-pyrazol-4-yl)methylamino]propan-2-ol.
What is the SMILES notation for 1-[(5-phenyl-1H-pyrazol-4-yl)methylamino]propan-2-ol?
The canonical SMILES for 1-[(5-phenyl-1H-pyrazol-4-yl)methylamino]propan-2-ol is CC(O)CNCc1cn[nH]c1-c1ccccc1.
What is the InChIKey of 1-[(5-phenyl-1H-pyrazol-4-yl)methylamino]propan-2-ol?
The InChIKey is GTRXSJFFILMIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-10(17)7-14-8-12-9-15-16-13(12)11-5-3-2-4-6-11/h2-6,9-10,14,17H,7-8H2,1H3,(H,15,16).
What are the key properties of 1-[(5-phenyl-1H-pyrazol-4-yl)methylamino]propan-2-ol?
1-[(5-phenyl-1H-pyrazol-4-yl)methylamino]propan-2-ol has a molecular weight of 231.30 g/mol, XLogP of 1.55, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-phenyl-1H-pyrazol-4-yl)methylamino]propan-2-ol is sourced from PubChem (CID 3969875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).