3-amino-1-(4-chlorophenyl)-1-[6-(1H-pyrazol-4-yl)-3-pyridinyl]propan-1-ol

C17H17ClN4O — CID 15603476

IUPAC3-amino-1-(4-chlorophenyl)-1-[6-(1H-pyrazol-4-yl)-3-pyridinyl]propan-1-ol
SMILESNCCC(O)(c1ccc(Cl)cc1)c1ccc(-c2cn[nH]c2)nc1
InChIInChI=1S/C17H17ClN4O/c18-15-4-1-13(2-5-15)17(23,7-8-19)14-3-6-16(20-11-14)12-9-21-22-10-12/h1-6,9-11,23H,7-8,19H2,(H,21,22)
InChIKeyKUCDUBCYNURCJQ-UHFFFAOYSA-N
MW328.80 g/mol
LogP2.71
Rot. Bonds5

About 3-amino-1-(4-chlorophenyl)-1-[6-(1H-pyrazol-4-yl)-3-pyridinyl]propan-1-ol

3-amino-1-(4-chlorophenyl)-1-[6-(1H-pyrazol-4-yl)-3-pyridinyl]propan-1-ol (PubChem CID 15603476) has the molecular formula C17H17ClN4O and a molecular weight of 328.80 g/mol. Its IUPAC name is 3-amino-1-(4-chlorophenyl)-1-[6-(1H-pyrazol-4-yl)-3-pyridinyl]propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(4-chlorophenyl)-1-[6-(1H-pyrazol-4-yl)-3-pyridinyl]propan-1-ol
PubChem CID15603476
Molecular FormulaC17H17ClN4O
Molecular Weight328.80 g/mol
Exact Mass328.11
IUPAC Name3-amino-1-(4-chlorophenyl)-1-[6-(1H-pyrazol-4-yl)-3-pyridinyl]propan-1-ol
SMILESNCCC(O)(c1ccc(Cl)cc1)c1ccc(-c2cn[nH]c2)nc1
InChIInChI=1S/C17H17ClN4O/c18-15-4-1-13(2-5-15)17(23,7-8-19)14-3-6-16(20-11-14)12-9-21-22-10-12/h1-6,9-11,23H,7-8,19H2,(H,21,22)
InChIKeyKUCDUBCYNURCJQ-UHFFFAOYSA-N
XLogP2.71
TPSA87.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(4-chlorophenyl)-1-[6-(1H-pyrazol-4-yl)-3-pyridinyl]propan-1-ol?
The IUPAC name of 3-amino-1-(4-chlorophenyl)-1-[6-(1H-pyrazol-4-yl)-3-pyridinyl]propan-1-ol (CID 15603476) is 3-amino-1-(4-chlorophenyl)-1-[6-(1H-pyrazol-4-yl)-3-pyridinyl]propan-1-ol.
What is the SMILES notation for 3-amino-1-(4-chlorophenyl)-1-[6-(1H-pyrazol-4-yl)-3-pyridinyl]propan-1-ol?
The canonical SMILES for 3-amino-1-(4-chlorophenyl)-1-[6-(1H-pyrazol-4-yl)-3-pyridinyl]propan-1-ol is NCCC(O)(c1ccc(Cl)cc1)c1ccc(-c2cn[nH]c2)nc1.
What is the InChIKey of 3-amino-1-(4-chlorophenyl)-1-[6-(1H-pyrazol-4-yl)-3-pyridinyl]propan-1-ol?
The InChIKey is KUCDUBCYNURCJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O/c18-15-4-1-13(2-5-15)17(23,7-8-19)14-3-6-16(20-11-14)12-9-21-22-10-12/h1-6,9-11,23H,7-8,19H2,(H,21,22).
What are the key properties of 3-amino-1-(4-chlorophenyl)-1-[6-(1H-pyrazol-4-yl)-3-pyridinyl]propan-1-ol?
3-amino-1-(4-chlorophenyl)-1-[6-(1H-pyrazol-4-yl)-3-pyridinyl]propan-1-ol has a molecular weight of 328.80 g/mol, XLogP of 2.71, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(4-chlorophenyl)-1-[6-(1H-pyrazol-4-yl)-3-pyridinyl]propan-1-ol is sourced from PubChem (CID 15603476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).