4-(3-aminopropyl)-2-(4-hydroxyphenyl)-5-propan-2-yl-1H-pyrazol-3-one

C15H21N3O2 — CID 117124240

IUPAC4-(3-aminopropyl)-2-(4-hydroxyphenyl)-5-propan-2-yl-1H-pyrazol-3-one
SMILESCC(C)c1[nH]n(-c2ccc(O)cc2)c(=O)c1CCCN
InChIInChI=1S/C15H21N3O2/c1-10(2)14-13(4-3-9-16)15(20)18(17-14)11-5-7-12(19)8-6-11/h5-8,10,17,19H,3-4,9,16H2,1-2H3
InChIKeyQCBCIWHQKLRJBI-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.89
Rot. Bonds5

About 4-(3-aminopropyl)-2-(4-hydroxyphenyl)-5-propan-2-yl-1H-pyrazol-3-one

4-(3-aminopropyl)-2-(4-hydroxyphenyl)-5-propan-2-yl-1H-pyrazol-3-one (PubChem CID 117124240) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 4-(3-aminopropyl)-2-(4-hydroxyphenyl)-5-propan-2-yl-1H-pyrazol-3-one.

Molecular Properties

Compound Name4-(3-aminopropyl)-2-(4-hydroxyphenyl)-5-propan-2-yl-1H-pyrazol-3-one
PubChem CID117124240
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name4-(3-aminopropyl)-2-(4-hydroxyphenyl)-5-propan-2-yl-1H-pyrazol-3-one
SMILESCC(C)c1[nH]n(-c2ccc(O)cc2)c(=O)c1CCCN
InChIInChI=1S/C15H21N3O2/c1-10(2)14-13(4-3-9-16)15(20)18(17-14)11-5-7-12(19)8-6-11/h5-8,10,17,19H,3-4,9,16H2,1-2H3
InChIKeyQCBCIWHQKLRJBI-UHFFFAOYSA-N
XLogP1.89
TPSA84.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopropyl)-2-(4-hydroxyphenyl)-5-propan-2-yl-1H-pyrazol-3-one?
The IUPAC name of 4-(3-aminopropyl)-2-(4-hydroxyphenyl)-5-propan-2-yl-1H-pyrazol-3-one (CID 117124240) is 4-(3-aminopropyl)-2-(4-hydroxyphenyl)-5-propan-2-yl-1H-pyrazol-3-one.
What is the SMILES notation for 4-(3-aminopropyl)-2-(4-hydroxyphenyl)-5-propan-2-yl-1H-pyrazol-3-one?
The canonical SMILES for 4-(3-aminopropyl)-2-(4-hydroxyphenyl)-5-propan-2-yl-1H-pyrazol-3-one is CC(C)c1[nH]n(-c2ccc(O)cc2)c(=O)c1CCCN.
What is the InChIKey of 4-(3-aminopropyl)-2-(4-hydroxyphenyl)-5-propan-2-yl-1H-pyrazol-3-one?
The InChIKey is QCBCIWHQKLRJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-10(2)14-13(4-3-9-16)15(20)18(17-14)11-5-7-12(19)8-6-11/h5-8,10,17,19H,3-4,9,16H2,1-2H3.
What are the key properties of 4-(3-aminopropyl)-2-(4-hydroxyphenyl)-5-propan-2-yl-1H-pyrazol-3-one?
4-(3-aminopropyl)-2-(4-hydroxyphenyl)-5-propan-2-yl-1H-pyrazol-3-one has a molecular weight of 275.35 g/mol, XLogP of 1.89, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopropyl)-2-(4-hydroxyphenyl)-5-propan-2-yl-1H-pyrazol-3-one is sourced from PubChem (CID 117124240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).