tert-butyl 3-(3-hydroxypropyl)pyrazole-1-carboxylate

C11H18N2O3 — CID 142757661

IUPACtert-butyl 3-(3-hydroxypropyl)pyrazole-1-carboxylate
SMILESCC(C)(C)OC(=O)n1ccc(CCCO)n1
InChIInChI=1S/C11H18N2O3/c1-11(2,3)16-10(15)13-7-6-9(12-13)5-4-8-14/h6-7,14H,4-5,8H2,1-3H3
InChIKeyLRXMOALRLCQCBC-UHFFFAOYSA-N
MW226.28 g/mol
LogP1.59
Rot. Bonds3

About tert-butyl 3-(3-hydroxypropyl)pyrazole-1-carboxylate

tert-butyl 3-(3-hydroxypropyl)pyrazole-1-carboxylate (PubChem CID 142757661) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is tert-butyl 3-(3-hydroxypropyl)pyrazole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(3-hydroxypropyl)pyrazole-1-carboxylate
PubChem CID142757661
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Nametert-butyl 3-(3-hydroxypropyl)pyrazole-1-carboxylate
SMILESCC(C)(C)OC(=O)n1ccc(CCCO)n1
InChIInChI=1S/C11H18N2O3/c1-11(2,3)16-10(15)13-7-6-9(12-13)5-4-8-14/h6-7,14H,4-5,8H2,1-3H3
InChIKeyLRXMOALRLCQCBC-UHFFFAOYSA-N
XLogP1.59
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-methyl-1H-pyrazol-5-yl)propan-1-ol
CID 64515300
Ethyl 5-butylpyrazole-1-carboxylate
CID 138979149
3-(1-Methyl-1H-pyrazol-3-yl)propan-1-ol
CID 17028075
4-[1-(Tert-butoxycarbonyl)-1H-pyrazol-3-yl]butanoic acid
CID 57907411
CID 58126669
CID 58126669
Tert-butyl 3-propylpyrazole-1-carboxylate
CID 58268145
3-Ethylpyrazole-1-carboxylic acid
CID 67414181
tert-butyl 3-[(3E)-3-(4-hydroxypiperidin-3-ylidene)propyl]pyrazole-1-carboxylate
CID 69025652
Tert-butyl 3-(3-oxopropyl)pyrazole-1-carboxylate
CID 87661689
Methyl 2-[(2-methylpropan-2-yl)oxycarbonylimino]-3-(1-methylpyrazol-3-yl)propanoate
CID 90941756
tert-butyl N-[1-(1-formylpyrazol-3-yl)propan-2-yl]carbamate
CID 91011732
tert-butyl N-[2-(1-formylpyrazol-3-yl)ethyl]carbamate
CID 91450229

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(3-hydroxypropyl)pyrazole-1-carboxylate?
The IUPAC name of tert-butyl 3-(3-hydroxypropyl)pyrazole-1-carboxylate (CID 142757661) is tert-butyl 3-(3-hydroxypropyl)pyrazole-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(3-hydroxypropyl)pyrazole-1-carboxylate?
The canonical SMILES for tert-butyl 3-(3-hydroxypropyl)pyrazole-1-carboxylate is CC(C)(C)OC(=O)n1ccc(CCCO)n1.
What is the InChIKey of tert-butyl 3-(3-hydroxypropyl)pyrazole-1-carboxylate?
The InChIKey is LRXMOALRLCQCBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-11(2,3)16-10(15)13-7-6-9(12-13)5-4-8-14/h6-7,14H,4-5,8H2,1-3H3.
What are the key properties of tert-butyl 3-(3-hydroxypropyl)pyrazole-1-carboxylate?
tert-butyl 3-(3-hydroxypropyl)pyrazole-1-carboxylate has a molecular weight of 226.28 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(3-hydroxypropyl)pyrazole-1-carboxylate is sourced from PubChem (CID 142757661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).