1-(4-aminopyrazol-1-yl)-3-[(3-fluorophenyl)methyl-methylamino]propan-2-ol

C14H19FN4O — CID 43175685

IUPAC1-(4-aminopyrazol-1-yl)-3-[(3-fluorophenyl)methyl-methylamino]propan-2-ol
SMILESCN(Cc1cccc(F)c1)CC(O)Cn1cc(N)cn1
InChIInChI=1S/C14H19FN4O/c1-18(7-11-3-2-4-12(15)5-11)9-14(20)10-19-8-13(16)6-17-19/h2-6,8,14,20H,7,9-10,16H2,1H3
InChIKeyBXCJDUPUKNMFHC-UHFFFAOYSA-N
MW278.33 g/mol
LogP1.10
Rot. Bonds6

About 1-(4-aminopyrazol-1-yl)-3-[(3-fluorophenyl)methyl-methylamino]propan-2-ol

1-(4-aminopyrazol-1-yl)-3-[(3-fluorophenyl)methyl-methylamino]propan-2-ol (PubChem CID 43175685) has the molecular formula C14H19FN4O and a molecular weight of 278.33 g/mol. Its IUPAC name is 1-(4-aminopyrazol-1-yl)-3-[(3-fluorophenyl)methyl-methylamino]propan-2-ol.

Molecular Properties

Compound Name1-(4-aminopyrazol-1-yl)-3-[(3-fluorophenyl)methyl-methylamino]propan-2-ol
PubChem CID43175685
Molecular FormulaC14H19FN4O
Molecular Weight278.33 g/mol
Exact Mass278.15
IUPAC Name1-(4-aminopyrazol-1-yl)-3-[(3-fluorophenyl)methyl-methylamino]propan-2-ol
SMILESCN(Cc1cccc(F)c1)CC(O)Cn1cc(N)cn1
InChIInChI=1S/C14H19FN4O/c1-18(7-11-3-2-4-12(15)5-11)9-14(20)10-19-8-13(16)6-17-19/h2-6,8,14,20H,7,9-10,16H2,1H3
InChIKeyBXCJDUPUKNMFHC-UHFFFAOYSA-N
XLogP1.10
TPSA67.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopyrazol-1-yl)-3-[(3-fluorophenyl)methyl-methylamino]propan-2-ol?
The IUPAC name of 1-(4-aminopyrazol-1-yl)-3-[(3-fluorophenyl)methyl-methylamino]propan-2-ol (CID 43175685) is 1-(4-aminopyrazol-1-yl)-3-[(3-fluorophenyl)methyl-methylamino]propan-2-ol.
What is the SMILES notation for 1-(4-aminopyrazol-1-yl)-3-[(3-fluorophenyl)methyl-methylamino]propan-2-ol?
The canonical SMILES for 1-(4-aminopyrazol-1-yl)-3-[(3-fluorophenyl)methyl-methylamino]propan-2-ol is CN(Cc1cccc(F)c1)CC(O)Cn1cc(N)cn1.
What is the InChIKey of 1-(4-aminopyrazol-1-yl)-3-[(3-fluorophenyl)methyl-methylamino]propan-2-ol?
The InChIKey is BXCJDUPUKNMFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN4O/c1-18(7-11-3-2-4-12(15)5-11)9-14(20)10-19-8-13(16)6-17-19/h2-6,8,14,20H,7,9-10,16H2,1H3.
What are the key properties of 1-(4-aminopyrazol-1-yl)-3-[(3-fluorophenyl)methyl-methylamino]propan-2-ol?
1-(4-aminopyrazol-1-yl)-3-[(3-fluorophenyl)methyl-methylamino]propan-2-ol has a molecular weight of 278.33 g/mol, XLogP of 1.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminopyrazol-1-yl)-3-[(3-fluorophenyl)methyl-methylamino]propan-2-ol is sourced from PubChem (CID 43175685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).