1-methyl-3-propan-2-yl-5-propylpyrazol-4-ol

C10H18N2O — CID 166083095

IUPAC1-methyl-3-propan-2-yl-5-propylpyrazol-4-ol
SMILESCCCc1c(O)c(C(C)C)nn1C
InChIInChI=1S/C10H18N2O/c1-5-6-8-10(13)9(7(2)3)11-12(8)4/h7,13H,5-6H2,1-4H3
InChIKeySBHBOFWSXRNUFY-UHFFFAOYSA-N
MW182.27 g/mol
LogP2.20
Rot. Bonds3

About 1-methyl-3-propan-2-yl-5-propylpyrazol-4-ol

1-methyl-3-propan-2-yl-5-propylpyrazol-4-ol (PubChem CID 166083095) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 1-methyl-3-propan-2-yl-5-propylpyrazol-4-ol.

Molecular Properties

Compound Name1-methyl-3-propan-2-yl-5-propylpyrazol-4-ol
PubChem CID166083095
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name1-methyl-3-propan-2-yl-5-propylpyrazol-4-ol
SMILESCCCc1c(O)c(C(C)C)nn1C
InChIInChI=1S/C10H18N2O/c1-5-6-8-10(13)9(7(2)3)11-12(8)4/h7,13H,5-6H2,1-4H3
InChIKeySBHBOFWSXRNUFY-UHFFFAOYSA-N
XLogP2.20
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-3-propan-2-yl-5-propylpyrazol-4-ol
CID 166083036
5-ethyl-3-propan-2-yl-1-propylpyrazol-4-ol
CID 166083003
3-butan-2-yl-1-(2-methylpropyl)-5-propylpyrazol-4-ol
CID 166083128
1-butyl-3,5-di(propan-2-yl)pyrazol-4-ol
CID 166083041
1-butyl-4-propan-2-yl-5-propyltriazole
CID 69385473
3-tert-butyl-1-propan-2-yl-5-propylpyrazol-4-ol
CID 166082944
5-(2-chlorobutyl)-1-methyl-4-nitro-3-propan-2-ylpyrazole
CID 66013331
5-butan-2-yl-3-butyl-1-methylpyrazol-4-ol
CID 166083008
1-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)-methylamino]propan-2-ol
CID 66019786
N-ethyl-3-methyl-1-(2-methyl-4-nitro-5-propan-2-ylpyrazol-3-yl)butan-2-amine
CID 66013325
5-(benzenesulfonyl)-1-methyl-3-propan-2-ylpyrazol-4-ol
CID 59654515
N-methyl-1-(2-methyl-4-nitro-5-propan-2-ylpyrazol-3-yl)pentan-2-amine
CID 66013524

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-propan-2-yl-5-propylpyrazol-4-ol?
The IUPAC name of 1-methyl-3-propan-2-yl-5-propylpyrazol-4-ol (CID 166083095) is 1-methyl-3-propan-2-yl-5-propylpyrazol-4-ol.
What is the SMILES notation for 1-methyl-3-propan-2-yl-5-propylpyrazol-4-ol?
The canonical SMILES for 1-methyl-3-propan-2-yl-5-propylpyrazol-4-ol is CCCc1c(O)c(C(C)C)nn1C.
What is the InChIKey of 1-methyl-3-propan-2-yl-5-propylpyrazol-4-ol?
The InChIKey is SBHBOFWSXRNUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-5-6-8-10(13)9(7(2)3)11-12(8)4/h7,13H,5-6H2,1-4H3.
What are the key properties of 1-methyl-3-propan-2-yl-5-propylpyrazol-4-ol?
1-methyl-3-propan-2-yl-5-propylpyrazol-4-ol has a molecular weight of 182.27 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-propan-2-yl-5-propylpyrazol-4-ol is sourced from PubChem (CID 166083095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).