3-[5-(3-aminopropyl)-1-methylpyrazol-4-yl]phenol

C13H17N3O — CID 105423466

IUPAC3-[5-(3-aminopropyl)-1-methylpyrazol-4-yl]phenol
SMILESCn1ncc(-c2cccc(O)c2)c1CCCN
InChIInChI=1S/C13H17N3O/c1-16-13(6-3-7-14)12(9-15-16)10-4-2-5-11(17)8-10/h2,4-5,8-9,17H,3,6-7,14H2,1H3
InChIKeyFLASWUZJMZVAMO-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.68
Rot. Bonds4

About 3-[5-(3-aminopropyl)-1-methylpyrazol-4-yl]phenol

3-[5-(3-aminopropyl)-1-methylpyrazol-4-yl]phenol (PubChem CID 105423466) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 3-[5-(3-aminopropyl)-1-methylpyrazol-4-yl]phenol.

Molecular Properties

Compound Name3-[5-(3-aminopropyl)-1-methylpyrazol-4-yl]phenol
PubChem CID105423466
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name3-[5-(3-aminopropyl)-1-methylpyrazol-4-yl]phenol
SMILESCn1ncc(-c2cccc(O)c2)c1CCCN
InChIInChI=1S/C13H17N3O/c1-16-13(6-3-7-14)12(9-15-16)10-4-2-5-11(17)8-10/h2,4-5,8-9,17H,3,6-7,14H2,1H3
InChIKeyFLASWUZJMZVAMO-UHFFFAOYSA-N
XLogP1.68
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(3-aminopropyl)-1-methylpyrazol-4-yl]phenol?
The IUPAC name of 3-[5-(3-aminopropyl)-1-methylpyrazol-4-yl]phenol (CID 105423466) is 3-[5-(3-aminopropyl)-1-methylpyrazol-4-yl]phenol.
What is the SMILES notation for 3-[5-(3-aminopropyl)-1-methylpyrazol-4-yl]phenol?
The canonical SMILES for 3-[5-(3-aminopropyl)-1-methylpyrazol-4-yl]phenol is Cn1ncc(-c2cccc(O)c2)c1CCCN.
What is the InChIKey of 3-[5-(3-aminopropyl)-1-methylpyrazol-4-yl]phenol?
The InChIKey is FLASWUZJMZVAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-16-13(6-3-7-14)12(9-15-16)10-4-2-5-11(17)8-10/h2,4-5,8-9,17H,3,6-7,14H2,1H3.
What are the key properties of 3-[5-(3-aminopropyl)-1-methylpyrazol-4-yl]phenol?
3-[5-(3-aminopropyl)-1-methylpyrazol-4-yl]phenol has a molecular weight of 231.30 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3-aminopropyl)-1-methylpyrazol-4-yl]phenol is sourced from PubChem (CID 105423466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).