1-propylpyrazol-4-ol

C6H10N2O — CID 13018410

IUPAC1-propylpyrazol-4-ol
SMILESCCCn1cc(O)cn1
InChIInChI=1S/C6H10N2O/c1-2-3-8-5-6(9)4-7-8/h4-5,9H,2-3H2,1H3
InChIKeyTZMLEDRXPQCANG-UHFFFAOYSA-N
MW126.16 g/mol
LogP1.00
Rot. Bonds2

About 1-propylpyrazol-4-ol

1-propylpyrazol-4-ol (PubChem CID 13018410) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is 1-propylpyrazol-4-ol.

Molecular Properties

Compound Name1-propylpyrazol-4-ol
PubChem CID13018410
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name1-propylpyrazol-4-ol
SMILESCCCn1cc(O)cn1
InChIInChI=1S/C6H10N2O/c1-2-3-8-5-6(9)4-7-8/h4-5,9H,2-3H2,1H3
InChIKeyTZMLEDRXPQCANG-UHFFFAOYSA-N
XLogP1.00
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Methyl-1H-pyrazol-4-ol
CID 13018409
1-(Propan-2-yl)-1H-pyrazol-4-ol
CID 13018411
1-(2-Methylpropyl)-1H-pyrazol-4-ol
CID 20479038
1-(cyclopropylmethyl)-1H-pyrazol-4-ol
CID 75525661
5-bromo-1-methyl-1H-pyrazol-4-ol
CID 84076115
1H-Pyrazol-4-ol, 1-cyclopropyl-
CID 117124803
5-chloro-1-methyl-1H-pyrazol-4-ol
CID 117232826
1-(but-2-yn-1-yl)-1H-pyrazol-4-ol
CID 122240485
4-Methoxy-1-methyl-1H-pyrazole
CID 12695060
1-Methyl-1h-pyrazole-4-carbonic acid
CID 66632502
1-(Trifluoromethyl)pyrazol-4-ol
CID 20400069
4-(Difluoromethoxy)-1-ethylpyrazole
CID 57039471

Frequently Asked Questions

What is the IUPAC name of 1-propylpyrazol-4-ol?
The IUPAC name of 1-propylpyrazol-4-ol (CID 13018410) is 1-propylpyrazol-4-ol.
What is the SMILES notation for 1-propylpyrazol-4-ol?
The canonical SMILES for 1-propylpyrazol-4-ol is CCCn1cc(O)cn1.
What is the InChIKey of 1-propylpyrazol-4-ol?
The InChIKey is TZMLEDRXPQCANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c1-2-3-8-5-6(9)4-7-8/h4-5,9H,2-3H2,1H3.
What are the key properties of 1-propylpyrazol-4-ol?
1-propylpyrazol-4-ol has a molecular weight of 126.16 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propylpyrazol-4-ol is sourced from PubChem (CID 13018410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).