2,2-dimethyl-1-(1-propylpyrazol-4-yl)butan-1-ol

C12H22N2O — CID 114981636

IUPAC2,2-dimethyl-1-(1-propylpyrazol-4-yl)butan-1-ol
SMILESCCCn1cc(C(O)C(C)(C)CC)cn1
InChIInChI=1S/C12H22N2O/c1-5-7-14-9-10(8-13-14)11(15)12(3,4)6-2/h8-9,11,15H,5-7H2,1-4H3
InChIKeyGMIPUBWTNRHAPD-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.76
Rot. Bonds5

About 2,2-dimethyl-1-(1-propylpyrazol-4-yl)butan-1-ol

2,2-dimethyl-1-(1-propylpyrazol-4-yl)butan-1-ol (PubChem CID 114981636) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 2,2-dimethyl-1-(1-propylpyrazol-4-yl)butan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-1-(1-propylpyrazol-4-yl)butan-1-ol
PubChem CID114981636
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name2,2-dimethyl-1-(1-propylpyrazol-4-yl)butan-1-ol
SMILESCCCn1cc(C(O)C(C)(C)CC)cn1
InChIInChI=1S/C12H22N2O/c1-5-7-14-9-10(8-13-14)11(15)12(3,4)6-2/h8-9,11,15H,5-7H2,1-4H3
InChIKeyGMIPUBWTNRHAPD-UHFFFAOYSA-N
XLogP2.76
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-1-(1-propylpyrazol-4-yl)butan-1-amine
CID 115807994
methanol;4-propan-2-yl-1-propylpyrazole
CID 164911743
3,4,4-trimethyl-1-(1-propylpyrazol-4-yl)pentan-1-ol
CID 114981667
2-ethyl-1-(1-propylpyrazol-4-yl)butan-1-ol
CID 63895086
2,2,2-trifluoro-1-(1-pentylpyrazol-4-yl)ethanol
CID 134509611
2-(4-ethylphenyl)-1-(1-propylpyrazol-4-yl)ethanol
CID 103572594
4-butan-2-yl-1-propylpyrazole
CID 130194925
2-ethyl-1-(1-ethylpyrazol-4-yl)butane-1,2-diol
CID 103449416
[2,2-dimethyl-1-(1-propylpyrazol-4-yl)propyl]hydrazine
CID 105203000
2-amino-3-methyl-1-(1-propylpyrazol-4-yl)butan-1-ol
CID 103572279
3-cyclopropyl-1-(1-propylpyrazol-4-yl)propan-1-ol
CID 106590646
(3,5-dibromophenyl)-(1-propylpyrazol-4-yl)methanol
CID 114023332

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(1-propylpyrazol-4-yl)butan-1-ol?
The IUPAC name of 2,2-dimethyl-1-(1-propylpyrazol-4-yl)butan-1-ol (CID 114981636) is 2,2-dimethyl-1-(1-propylpyrazol-4-yl)butan-1-ol.
What is the SMILES notation for 2,2-dimethyl-1-(1-propylpyrazol-4-yl)butan-1-ol?
The canonical SMILES for 2,2-dimethyl-1-(1-propylpyrazol-4-yl)butan-1-ol is CCCn1cc(C(O)C(C)(C)CC)cn1.
What is the InChIKey of 2,2-dimethyl-1-(1-propylpyrazol-4-yl)butan-1-ol?
The InChIKey is GMIPUBWTNRHAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-5-7-14-9-10(8-13-14)11(15)12(3,4)6-2/h8-9,11,15H,5-7H2,1-4H3.
What are the key properties of 2,2-dimethyl-1-(1-propylpyrazol-4-yl)butan-1-ol?
2,2-dimethyl-1-(1-propylpyrazol-4-yl)butan-1-ol has a molecular weight of 210.32 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(1-propylpyrazol-4-yl)butan-1-ol is sourced from PubChem (CID 114981636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).