tert-butyl 2-[4-(3-hydroxypropyl)pyrazol-1-yl]acetate

C12H20N2O3 — CID 122240642

IUPACtert-butyl 2-[4-(3-hydroxypropyl)pyrazol-1-yl]acetate
SMILESCC(C)(C)OC(=O)Cn1cc(CCCO)cn1
InChIInChI=1S/C12H20N2O3/c1-12(2,3)17-11(16)9-14-8-10(7-13-14)5-4-6-15/h7-8,15H,4-6,9H2,1-3H3
InChIKeyFNXGPQNSJNPJII-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.15
Rot. Bonds5

About tert-butyl 2-[4-(3-hydroxypropyl)pyrazol-1-yl]acetate

tert-butyl 2-[4-(3-hydroxypropyl)pyrazol-1-yl]acetate (PubChem CID 122240642) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is tert-butyl 2-[4-(3-hydroxypropyl)pyrazol-1-yl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[4-(3-hydroxypropyl)pyrazol-1-yl]acetate
PubChem CID122240642
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Nametert-butyl 2-[4-(3-hydroxypropyl)pyrazol-1-yl]acetate
SMILESCC(C)(C)OC(=O)Cn1cc(CCCO)cn1
InChIInChI=1S/C12H20N2O3/c1-12(2,3)17-11(16)9-14-8-10(7-13-14)5-4-6-15/h7-8,15H,4-6,9H2,1-3H3
InChIKeyFNXGPQNSJNPJII-UHFFFAOYSA-N
XLogP1.15
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 2-(4-cyclopropylpyrazol-1-yl)acetate
CID 70847647
2-[4-(3-hydroxypropyl)pyrazol-1-yl]-1-pyrrolidin-1-ylethanone
CID 122240516
tert-butyl 2-[4-(4-cyanophenoxy)pyrazol-1-yl]acetate
CID 166174661
tert-butyl 2-(1-methylpyrazol-4-yl)acetate
CID 71758654
tert-butyl N-[[2-[4-(4-hydroxybutyl)pyrazol-1-yl]-1,3-thiazol-5-yl]methyl]carbamate
CID 126719396
tert-butyl N-[2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]ethyl]carbamate
CID 107241305
3-[4-(3-hydroxypropyl)pyrazol-1-yl]propanenitrile
CID 62718415
ethyl 2-[4-(aminomethyl)pyrazol-1-yl]acetate
CID 122240626
3-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]propan-1-ol
CID 63272329
tert-butyl N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]carbamate
CID 65143031
tert-butyl N-[[1-[[4-(hydroxymethyl)phenyl]methyl]pyrazol-4-yl]methyl]carbamate
CID 110006016
methyl 1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]triazole-4-carboxylate
CID 122241136

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[4-(3-hydroxypropyl)pyrazol-1-yl]acetate?
The IUPAC name of tert-butyl 2-[4-(3-hydroxypropyl)pyrazol-1-yl]acetate (CID 122240642) is tert-butyl 2-[4-(3-hydroxypropyl)pyrazol-1-yl]acetate.
What is the SMILES notation for tert-butyl 2-[4-(3-hydroxypropyl)pyrazol-1-yl]acetate?
The canonical SMILES for tert-butyl 2-[4-(3-hydroxypropyl)pyrazol-1-yl]acetate is CC(C)(C)OC(=O)Cn1cc(CCCO)cn1.
What is the InChIKey of tert-butyl 2-[4-(3-hydroxypropyl)pyrazol-1-yl]acetate?
The InChIKey is FNXGPQNSJNPJII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-12(2,3)17-11(16)9-14-8-10(7-13-14)5-4-6-15/h7-8,15H,4-6,9H2,1-3H3.
What are the key properties of tert-butyl 2-[4-(3-hydroxypropyl)pyrazol-1-yl]acetate?
tert-butyl 2-[4-(3-hydroxypropyl)pyrazol-1-yl]acetate has a molecular weight of 240.30 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[4-(3-hydroxypropyl)pyrazol-1-yl]acetate is sourced from PubChem (CID 122240642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).