(2-aminophenyl)-(2-propylpyrazol-3-yl)methanol

C13H17N3O — CID 64831998

IUPAC(2-aminophenyl)-(2-propylpyrazol-3-yl)methanol
SMILESCCCn1nccc1C(O)c1ccccc1N
InChIInChI=1S/C13H17N3O/c1-2-9-16-12(7-8-15-16)13(17)10-5-3-4-6-11(10)14/h3-8,13,17H,2,9,14H2,1H3
InChIKeyNUGVQCMSTJVJFR-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.96
Rot. Bonds4

About (2-aminophenyl)-(2-propylpyrazol-3-yl)methanol

(2-aminophenyl)-(2-propylpyrazol-3-yl)methanol (PubChem CID 64831998) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is (2-aminophenyl)-(2-propylpyrazol-3-yl)methanol.

Molecular Properties

Compound Name(2-aminophenyl)-(2-propylpyrazol-3-yl)methanol
PubChem CID64831998
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name(2-aminophenyl)-(2-propylpyrazol-3-yl)methanol
SMILESCCCn1nccc1C(O)c1ccccc1N
InChIInChI=1S/C13H17N3O/c1-2-9-16-12(7-8-15-16)13(17)10-5-3-4-6-11(10)14/h3-8,13,17H,2,9,14H2,1H3
InChIKeyNUGVQCMSTJVJFR-UHFFFAOYSA-N
XLogP1.96
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 ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-aminophenyl)-(2-propylpyrazol-3-yl)methanol?
The IUPAC name of (2-aminophenyl)-(2-propylpyrazol-3-yl)methanol (CID 64831998) is (2-aminophenyl)-(2-propylpyrazol-3-yl)methanol.
What is the SMILES notation for (2-aminophenyl)-(2-propylpyrazol-3-yl)methanol?
The canonical SMILES for (2-aminophenyl)-(2-propylpyrazol-3-yl)methanol is CCCn1nccc1C(O)c1ccccc1N.
What is the InChIKey of (2-aminophenyl)-(2-propylpyrazol-3-yl)methanol?
The InChIKey is NUGVQCMSTJVJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-2-9-16-12(7-8-15-16)13(17)10-5-3-4-6-11(10)14/h3-8,13,17H,2,9,14H2,1H3.
What are the key properties of (2-aminophenyl)-(2-propylpyrazol-3-yl)methanol?
(2-aminophenyl)-(2-propylpyrazol-3-yl)methanol has a molecular weight of 231.30 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminophenyl)-(2-propylpyrazol-3-yl)methanol is sourced from PubChem (CID 64831998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).