4-but-1-enyl-5-propan-2-yloxy-1H-pyrazole

C10H16N2O — CID 140629823

IUPAC4-but-1-enyl-5-propan-2-yloxy-1H-pyrazole
SMILESCCC=Cc1cn[nH]c1OC(C)C
InChIInChI=1S/C10H16N2O/c1-4-5-6-9-7-11-12-10(9)13-8(2)3/h5-8H,4H2,1-3H3,(H,11,12)
InChIKeyHVMQRQNKOGSSHY-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.62
Rot. Bonds4

About 4-but-1-enyl-5-propan-2-yloxy-1H-pyrazole

4-but-1-enyl-5-propan-2-yloxy-1H-pyrazole (PubChem CID 140629823) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 4-but-1-enyl-5-propan-2-yloxy-1H-pyrazole.

Molecular Properties

Compound Name4-but-1-enyl-5-propan-2-yloxy-1H-pyrazole
PubChem CID140629823
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name4-but-1-enyl-5-propan-2-yloxy-1H-pyrazole
SMILESCCC=Cc1cn[nH]c1OC(C)C
InChIInChI=1S/C10H16N2O/c1-4-5-6-9-7-11-12-10(9)13-8(2)3/h5-8H,4H2,1-3H3,(H,11,12)
InChIKeyHVMQRQNKOGSSHY-UHFFFAOYSA-N
XLogP2.62
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-but-1-enyl-5-propan-2-yloxy-1H-pyrazole?
The IUPAC name of 4-but-1-enyl-5-propan-2-yloxy-1H-pyrazole (CID 140629823) is 4-but-1-enyl-5-propan-2-yloxy-1H-pyrazole.
What is the SMILES notation for 4-but-1-enyl-5-propan-2-yloxy-1H-pyrazole?
The canonical SMILES for 4-but-1-enyl-5-propan-2-yloxy-1H-pyrazole is CCC=Cc1cn[nH]c1OC(C)C.
What is the InChIKey of 4-but-1-enyl-5-propan-2-yloxy-1H-pyrazole?
The InChIKey is HVMQRQNKOGSSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-4-5-6-9-7-11-12-10(9)13-8(2)3/h5-8H,4H2,1-3H3,(H,11,12).
What are the key properties of 4-but-1-enyl-5-propan-2-yloxy-1H-pyrazole?
4-but-1-enyl-5-propan-2-yloxy-1H-pyrazole has a molecular weight of 180.25 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-1-enyl-5-propan-2-yloxy-1H-pyrazole is sourced from PubChem (CID 140629823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).