2-[2-[2-[2-[2-(4-aminopyrazol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl-tert-butylcarbamic acid

C18H34N4O6 — CID 138695957

IUPAC2-[2-[2-[2-[2-(4-aminopyrazol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl-tert-butylcarbamic acid
SMILESCC(C)(C)N(CCOCCOCCOCCOCCn1cc(N)cn1)C(=O)O
InChIInChI=1S/C18H34N4O6/c1-18(2,3)22(17(23)24)5-7-26-9-11-28-13-12-27-10-8-25-6-4-21-15-16(19)14-20-21/h14-15H,4-13,19H2,1-3H3,(H,23,24)
InChIKeyKDVQULWGDOTOMC-UHFFFAOYSA-N
MW402.49 g/mol
LogP1.31
Rot. Bonds15

About 2-[2-[2-[2-[2-(4-aminopyrazol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl-tert-butylcarbamic acid

2-[2-[2-[2-[2-(4-aminopyrazol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl-tert-butylcarbamic acid (PubChem CID 138695957) has the molecular formula C18H34N4O6 and a molecular weight of 402.49 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-(4-aminopyrazol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl-tert-butylcarbamic acid.

Molecular Properties

Compound Name2-[2-[2-[2-[2-(4-aminopyrazol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl-tert-butylcarbamic acid
PubChem CID138695957
Molecular FormulaC18H34N4O6
Molecular Weight402.49 g/mol
Exact Mass402.25
IUPAC Name2-[2-[2-[2-[2-(4-aminopyrazol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl-tert-butylcarbamic acid
SMILESCC(C)(C)N(CCOCCOCCOCCOCCn1cc(N)cn1)C(=O)O
InChIInChI=1S/C18H34N4O6/c1-18(2,3)22(17(23)24)5-7-26-9-11-28-13-12-27-10-8-25-6-4-21-15-16(19)14-20-21/h14-15H,4-13,19H2,1-3H3,(H,23,24)
InChIKeyKDVQULWGDOTOMC-UHFFFAOYSA-N
XLogP1.31
TPSA121.30 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl N-[1-(2-methoxyethyl)pyrazol-4-yl]-N-methylcarbamate
CID 59319955
2-(4-aminopyrazol-1-yl)-N-(2-methoxyethyl)-N-methylacetamide
CID 61125180
1-(2-(2-Methoxyethoxy)ethyl)-1h-pyrazol-4-amine
CID 62138270
tert-butyl N-[1-(2-methoxyethyl)pyrazol-4-yl]carbamate
CID 65142918
3-(4-Aminopyrazol-1-yl)propyl-tert-butylcarbamic acid
CID 66765433
[1-(2-Methoxyethyl)pyrazol-4-yl]-methylcarbamic acid
CID 68570488
[1-(2-Morpholin-4-ylethyl)pyrazol-4-yl]carbamic acid
CID 68570685
[1-(2-Methoxyethyl)pyrazol-4-yl]carbamic acid
CID 68595819
Methyl-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]carbamic acid
CID 68596843
methyl N-[1-(2-methoxyethyl)pyrazol-4-yl]carbamate
CID 70294041
tert-butyl N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]carbamate
CID 90879816
tert-butyl N-methyl-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]carbamate
CID 91117945

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[2-(4-aminopyrazol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl-tert-butylcarbamic acid?
The IUPAC name of 2-[2-[2-[2-[2-(4-aminopyrazol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl-tert-butylcarbamic acid (CID 138695957) is 2-[2-[2-[2-[2-(4-aminopyrazol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl-tert-butylcarbamic acid.
What is the SMILES notation for 2-[2-[2-[2-[2-(4-aminopyrazol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl-tert-butylcarbamic acid?
The canonical SMILES for 2-[2-[2-[2-[2-(4-aminopyrazol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl-tert-butylcarbamic acid is CC(C)(C)N(CCOCCOCCOCCOCCn1cc(N)cn1)C(=O)O.
What is the InChIKey of 2-[2-[2-[2-[2-(4-aminopyrazol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl-tert-butylcarbamic acid?
The InChIKey is KDVQULWGDOTOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4O6/c1-18(2,3)22(17(23)24)5-7-26-9-11-28-13-12-27-10-8-25-6-4-21-15-16(19)14-20-21/h14-15H,4-13,19H2,1-3H3,(H,23,24).
What are the key properties of 2-[2-[2-[2-[2-(4-aminopyrazol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl-tert-butylcarbamic acid?
2-[2-[2-[2-[2-(4-aminopyrazol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl-tert-butylcarbamic acid has a molecular weight of 402.49 g/mol, XLogP of 1.31, 15 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[2-(4-aminopyrazol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl-tert-butylcarbamic acid is sourced from PubChem (CID 138695957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).