1-pyrazol-1-yl-1-(1H-pyrrol-2-yl)propan-2-ol

C10H13N3O — CID 57271812

IUPAC1-pyrazol-1-yl-1-(1H-pyrrol-2-yl)propan-2-ol
SMILESCC(O)C(c1ccc[nH]1)n1cccn1
InChIInChI=1S/C10H13N3O/c1-8(14)10(9-4-2-5-11-9)13-7-3-6-12-13/h2-8,10-11,14H,1H3
InChIKeySVODNAGSVVEXSL-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.18
Rot. Bonds3

About 1-pyrazol-1-yl-1-(1H-pyrrol-2-yl)propan-2-ol

1-pyrazol-1-yl-1-(1H-pyrrol-2-yl)propan-2-ol (PubChem CID 57271812) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 1-pyrazol-1-yl-1-(1H-pyrrol-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-pyrazol-1-yl-1-(1H-pyrrol-2-yl)propan-2-ol
PubChem CID57271812
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name1-pyrazol-1-yl-1-(1H-pyrrol-2-yl)propan-2-ol
SMILESCC(O)C(c1ccc[nH]1)n1cccn1
InChIInChI=1S/C10H13N3O/c1-8(14)10(9-4-2-5-11-9)13-7-3-6-12-13/h2-8,10-11,14H,1H3
InChIKeySVODNAGSVVEXSL-UHFFFAOYSA-N
XLogP1.18
TPSA53.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-pyrazol-1-yl-1-(1H-pyrrol-2-yl)propan-2-ol?
The IUPAC name of 1-pyrazol-1-yl-1-(1H-pyrrol-2-yl)propan-2-ol (CID 57271812) is 1-pyrazol-1-yl-1-(1H-pyrrol-2-yl)propan-2-ol.
What is the SMILES notation for 1-pyrazol-1-yl-1-(1H-pyrrol-2-yl)propan-2-ol?
The canonical SMILES for 1-pyrazol-1-yl-1-(1H-pyrrol-2-yl)propan-2-ol is CC(O)C(c1ccc[nH]1)n1cccn1.
What is the InChIKey of 1-pyrazol-1-yl-1-(1H-pyrrol-2-yl)propan-2-ol?
The InChIKey is SVODNAGSVVEXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-8(14)10(9-4-2-5-11-9)13-7-3-6-12-13/h2-8,10-11,14H,1H3.
What are the key properties of 1-pyrazol-1-yl-1-(1H-pyrrol-2-yl)propan-2-ol?
1-pyrazol-1-yl-1-(1H-pyrrol-2-yl)propan-2-ol has a molecular weight of 191.23 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrazol-1-yl-1-(1H-pyrrol-2-yl)propan-2-ol is sourced from PubChem (CID 57271812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).