4-[5-(2-aminopropyl)-1H-pyrazol-4-yl]phenol

C12H15N3O — CID 105423241

IUPAC4-[5-(2-aminopropyl)-1H-pyrazol-4-yl]phenol
SMILESCC(N)Cc1[nH]ncc1-c1ccc(O)cc1
InChIInChI=1S/C12H15N3O/c1-8(13)6-12-11(7-14-15-12)9-2-4-10(16)5-3-9/h2-5,7-8,16H,6,13H2,1H3,(H,14,15)
InChIKeyDCDAXRVMMOCUMC-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.67
Rot. Bonds3

About 4-[5-(2-aminopropyl)-1H-pyrazol-4-yl]phenol

4-[5-(2-aminopropyl)-1H-pyrazol-4-yl]phenol (PubChem CID 105423241) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 4-[5-(2-aminopropyl)-1H-pyrazol-4-yl]phenol.

Molecular Properties

Compound Name4-[5-(2-aminopropyl)-1H-pyrazol-4-yl]phenol
PubChem CID105423241
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name4-[5-(2-aminopropyl)-1H-pyrazol-4-yl]phenol
SMILESCC(N)Cc1[nH]ncc1-c1ccc(O)cc1
InChIInChI=1S/C12H15N3O/c1-8(13)6-12-11(7-14-15-12)9-2-4-10(16)5-3-9/h2-5,7-8,16H,6,13H2,1H3,(H,14,15)
InChIKeyDCDAXRVMMOCUMC-UHFFFAOYSA-N
XLogP1.67
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-aminopropyl)-1H-pyrazol-4-yl]phenol?
The IUPAC name of 4-[5-(2-aminopropyl)-1H-pyrazol-4-yl]phenol (CID 105423241) is 4-[5-(2-aminopropyl)-1H-pyrazol-4-yl]phenol.
What is the SMILES notation for 4-[5-(2-aminopropyl)-1H-pyrazol-4-yl]phenol?
The canonical SMILES for 4-[5-(2-aminopropyl)-1H-pyrazol-4-yl]phenol is CC(N)Cc1[nH]ncc1-c1ccc(O)cc1.
What is the InChIKey of 4-[5-(2-aminopropyl)-1H-pyrazol-4-yl]phenol?
The InChIKey is DCDAXRVMMOCUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-8(13)6-12-11(7-14-15-12)9-2-4-10(16)5-3-9/h2-5,7-8,16H,6,13H2,1H3,(H,14,15).
What are the key properties of 4-[5-(2-aminopropyl)-1H-pyrazol-4-yl]phenol?
4-[5-(2-aminopropyl)-1H-pyrazol-4-yl]phenol has a molecular weight of 217.27 g/mol, XLogP of 1.67, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-aminopropyl)-1H-pyrazol-4-yl]phenol is sourced from PubChem (CID 105423241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).