4-(1-propylpyrazol-4-yl)but-3-en-1-ol

C10H16N2O — CID 170476200

IUPAC4-(1-propylpyrazol-4-yl)but-3-en-1-ol
SMILESCCCn1cc(C=CCCO)cn1
InChIInChI=1S/C10H16N2O/c1-2-6-12-9-10(8-11-12)5-3-4-7-13/h3,5,8-9,13H,2,4,6-7H2,1H3
InChIKeyTVIKOGICPAJLKG-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.69
Rot. Bonds5

About 4-(1-propylpyrazol-4-yl)but-3-en-1-ol

4-(1-propylpyrazol-4-yl)but-3-en-1-ol (PubChem CID 170476200) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 4-(1-propylpyrazol-4-yl)but-3-en-1-ol.

Molecular Properties

Compound Name4-(1-propylpyrazol-4-yl)but-3-en-1-ol
PubChem CID170476200
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name4-(1-propylpyrazol-4-yl)but-3-en-1-ol
SMILESCCCn1cc(C=CCCO)cn1
InChIInChI=1S/C10H16N2O/c1-2-6-12-9-10(8-11-12)5-3-4-7-13/h3,5,8-9,13H,2,4,6-7H2,1H3
InChIKeyTVIKOGICPAJLKG-UHFFFAOYSA-N
XLogP1.69
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-propylpyrazol-4-yl)but-3-en-1-ol?
The IUPAC name of 4-(1-propylpyrazol-4-yl)but-3-en-1-ol (CID 170476200) is 4-(1-propylpyrazol-4-yl)but-3-en-1-ol.
What is the SMILES notation for 4-(1-propylpyrazol-4-yl)but-3-en-1-ol?
The canonical SMILES for 4-(1-propylpyrazol-4-yl)but-3-en-1-ol is CCCn1cc(C=CCCO)cn1.
What is the InChIKey of 4-(1-propylpyrazol-4-yl)but-3-en-1-ol?
The InChIKey is TVIKOGICPAJLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-2-6-12-9-10(8-11-12)5-3-4-7-13/h3,5,8-9,13H,2,4,6-7H2,1H3.
What are the key properties of 4-(1-propylpyrazol-4-yl)but-3-en-1-ol?
4-(1-propylpyrazol-4-yl)but-3-en-1-ol has a molecular weight of 180.25 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-propylpyrazol-4-yl)but-3-en-1-ol is sourced from PubChem (CID 170476200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).