2-hydroxyethyl N-(5-tert-butyl-1H-pyrazol-3-yl)carbamate

C10H17N3O3 — CID 104621843

IUPAC2-hydroxyethyl N-(5-tert-butyl-1H-pyrazol-3-yl)carbamate
SMILESCC(C)(C)c1cc(NC(=O)OCCO)n[nH]1
InChIInChI=1S/C10H17N3O3/c1-10(2,3)7-6-8(13-12-7)11-9(15)16-5-4-14/h6,14H,4-5H2,1-3H3,(H2,11,12,13,15)
InChIKeyKQPYYAALFNEQKI-UHFFFAOYSA-N
MW227.26 g/mol
LogP1.25
Rot. Bonds3

About 2-hydroxyethyl N-(5-tert-butyl-1H-pyrazol-3-yl)carbamate

2-hydroxyethyl N-(5-tert-butyl-1H-pyrazol-3-yl)carbamate (PubChem CID 104621843) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is 2-hydroxyethyl N-(5-tert-butyl-1H-pyrazol-3-yl)carbamate.

Molecular Properties

Compound Name2-hydroxyethyl N-(5-tert-butyl-1H-pyrazol-3-yl)carbamate
PubChem CID104621843
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Name2-hydroxyethyl N-(5-tert-butyl-1H-pyrazol-3-yl)carbamate
SMILESCC(C)(C)c1cc(NC(=O)OCCO)n[nH]1
InChIInChI=1S/C10H17N3O3/c1-10(2,3)7-6-8(13-12-7)11-9(15)16-5-4-14/h6,14H,4-5H2,1-3H3,(H2,11,12,13,15)
InChIKeyKQPYYAALFNEQKI-UHFFFAOYSA-N
XLogP1.25
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-3-methylbutanamide
CID 113433629
2-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-ethylbutanamide
CID 104618583
3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-methylbutanamide
CID 104618654
N-(5-tert-butyl-1H-pyrazol-3-yl)-3-propoxypropanamide
CID 113433784
2-(4-aminophenoxy)-N-(5-tert-butyl-1H-pyrazol-3-yl)acetamide
CID 104616360
ethyl 4-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-4-oxobutanoate
CID 113226291
3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-4,4-dimethylpentanamide
CID 104618523
3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-methylpropanamide
CID 104618640
2-acetamido-N-(5-tert-butyl-1H-pyrazol-3-yl)acetamide
CID 112686897
N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(4-fluorophenoxy)acetamide
CID 115589865
N-(5-tert-butyl-1H-pyrazol-3-yl)-2,3-dimethylbutanamide
CID 113235621
N-(5-tert-butyl-1H-pyrazol-3-yl)-2,2-dichloroacetamide
CID 13477003

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl N-(5-tert-butyl-1H-pyrazol-3-yl)carbamate?
The IUPAC name of 2-hydroxyethyl N-(5-tert-butyl-1H-pyrazol-3-yl)carbamate (CID 104621843) is 2-hydroxyethyl N-(5-tert-butyl-1H-pyrazol-3-yl)carbamate.
What is the SMILES notation for 2-hydroxyethyl N-(5-tert-butyl-1H-pyrazol-3-yl)carbamate?
The canonical SMILES for 2-hydroxyethyl N-(5-tert-butyl-1H-pyrazol-3-yl)carbamate is CC(C)(C)c1cc(NC(=O)OCCO)n[nH]1.
What is the InChIKey of 2-hydroxyethyl N-(5-tert-butyl-1H-pyrazol-3-yl)carbamate?
The InChIKey is KQPYYAALFNEQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-10(2,3)7-6-8(13-12-7)11-9(15)16-5-4-14/h6,14H,4-5H2,1-3H3,(H2,11,12,13,15).
What are the key properties of 2-hydroxyethyl N-(5-tert-butyl-1H-pyrazol-3-yl)carbamate?
2-hydroxyethyl N-(5-tert-butyl-1H-pyrazol-3-yl)carbamate has a molecular weight of 227.26 g/mol, XLogP of 1.25, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl N-(5-tert-butyl-1H-pyrazol-3-yl)carbamate is sourced from PubChem (CID 104621843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).