tert-butyl 2-(4-cyclopropylpyrazol-1-yl)acetate

C12H18N2O2 — CID 70847647

IUPACtert-butyl 2-(4-cyclopropylpyrazol-1-yl)acetate
SMILESCC(C)(C)OC(=O)Cn1cc(C2CC2)cn1
InChIInChI=1S/C12H18N2O2/c1-12(2,3)16-11(15)8-14-7-10(6-13-14)9-4-5-9/h6-7,9H,4-5,8H2,1-3H3
InChIKeyACRRLHRWSOGURD-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.10
Rot. Bonds3

About tert-butyl 2-(4-cyclopropylpyrazol-1-yl)acetate

tert-butyl 2-(4-cyclopropylpyrazol-1-yl)acetate (PubChem CID 70847647) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is tert-butyl 2-(4-cyclopropylpyrazol-1-yl)acetate.

Molecular Properties

Compound Nametert-butyl 2-(4-cyclopropylpyrazol-1-yl)acetate
PubChem CID70847647
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Nametert-butyl 2-(4-cyclopropylpyrazol-1-yl)acetate
SMILESCC(C)(C)OC(=O)Cn1cc(C2CC2)cn1
InChIInChI=1S/C12H18N2O2/c1-12(2,3)16-11(15)8-14-7-10(6-13-14)9-4-5-9/h6-7,9H,4-5,8H2,1-3H3
InChIKeyACRRLHRWSOGURD-UHFFFAOYSA-N
XLogP2.10
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-[(4-piperidin-4-ylpyrazol-1-yl)methyl]azetidine-1-carboxylate
CID 122240953
tert-butyl 2-[4-(3-hydroxypropyl)pyrazol-1-yl]acetate
CID 122240642
tert-butyl 3-[4-[4-(3-ethoxy-3-oxopropanoyl)cyclohexyl]pyrazol-1-yl]-2,2-dimethylpropanoate
CID 151901384
4-[[2-(4-cyclopropylpyrazol-1-yl)acetyl]amino]benzoic acid
CID 146135721
tert-butyl 2-[4-(4-cyanophenoxy)pyrazol-1-yl]acetate
CID 166174661
4-[1-(2-methylprop-2-enyl)pyrazol-4-yl]piperidine
CID 122240934
3-(4-cyclopropylpyrazol-1-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 165490368
4-cyclopropyl-1-(2-methoxyethyl)pyrazole
CID 170573805
cis-(1R,2S)-2-[[2-(4-cyclopropylpyrazol-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 136583479
tert-butyl N-[[1-(cyclopropylmethyl)pyrazol-4-yl]methylamino]carbamate
CID 166560021
[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 4-(2-methylpyrimidin-5-yl)piperidine-1-carboxylate
CID 177161028
tert-butyl 2-[6-cyclopropyl-2-[[4-[hydroxy(methoxy)methyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]acetate
CID 155180133

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(4-cyclopropylpyrazol-1-yl)acetate?
The IUPAC name of tert-butyl 2-(4-cyclopropylpyrazol-1-yl)acetate (CID 70847647) is tert-butyl 2-(4-cyclopropylpyrazol-1-yl)acetate.
What is the SMILES notation for tert-butyl 2-(4-cyclopropylpyrazol-1-yl)acetate?
The canonical SMILES for tert-butyl 2-(4-cyclopropylpyrazol-1-yl)acetate is CC(C)(C)OC(=O)Cn1cc(C2CC2)cn1.
What is the InChIKey of tert-butyl 2-(4-cyclopropylpyrazol-1-yl)acetate?
The InChIKey is ACRRLHRWSOGURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-12(2,3)16-11(15)8-14-7-10(6-13-14)9-4-5-9/h6-7,9H,4-5,8H2,1-3H3.
What are the key properties of tert-butyl 2-(4-cyclopropylpyrazol-1-yl)acetate?
tert-butyl 2-(4-cyclopropylpyrazol-1-yl)acetate has a molecular weight of 222.29 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(4-cyclopropylpyrazol-1-yl)acetate is sourced from PubChem (CID 70847647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).