1-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]-3-phenylpropan-2-ol

C18H21N3O2 — CID 111104767

IUPAC1-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]-3-phenylpropan-2-ol
SMILESCc1ccc(-c2[nH]ncc2CNCC(O)Cc2ccccc2)o1
InChIInChI=1S/C18H21N3O2/c1-13-7-8-17(23-13)18-15(11-20-21-18)10-19-12-16(22)9-14-5-3-2-4-6-14/h2-8,11,16,19,22H,9-10,12H2,1H3,(H,20,21)
InChIKeyPKLFKRDDQJKPPI-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.67
Rot. Bonds7

About 1-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]-3-phenylpropan-2-ol

1-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]-3-phenylpropan-2-ol (PubChem CID 111104767) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 1-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]-3-phenylpropan-2-ol.

Molecular Properties

Compound Name1-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]-3-phenylpropan-2-ol
PubChem CID111104767
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name1-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]-3-phenylpropan-2-ol
SMILESCc1ccc(-c2[nH]ncc2CNCC(O)Cc2ccccc2)o1
InChIInChI=1S/C18H21N3O2/c1-13-7-8-17(23-13)18-15(11-20-21-18)10-19-12-16(22)9-14-5-3-2-4-6-14/h2-8,11,16,19,22H,9-10,12H2,1H3,(H,20,21)
InChIKeyPKLFKRDDQJKPPI-UHFFFAOYSA-N
XLogP2.67
TPSA74.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]-3-phenylpropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]-3-phenylpropan-2-ol?
The IUPAC name of 1-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]-3-phenylpropan-2-ol (CID 111104767) is 1-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]-3-phenylpropan-2-ol.
What is the SMILES notation for 1-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]-3-phenylpropan-2-ol?
The canonical SMILES for 1-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]-3-phenylpropan-2-ol is Cc1ccc(-c2[nH]ncc2CNCC(O)Cc2ccccc2)o1.
What is the InChIKey of 1-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]-3-phenylpropan-2-ol?
The InChIKey is PKLFKRDDQJKPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-13-7-8-17(23-13)18-15(11-20-21-18)10-19-12-16(22)9-14-5-3-2-4-6-14/h2-8,11,16,19,22H,9-10,12H2,1H3,(H,20,21).
What are the key properties of 1-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]-3-phenylpropan-2-ol?
1-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]-3-phenylpropan-2-ol has a molecular weight of 311.39 g/mol, XLogP of 2.67, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]-3-phenylpropan-2-ol is sourced from PubChem (CID 111104767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).