[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]carbamic acid

C10H16N4O3 — CID 68570685

IUPAC[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]carbamic acid
SMILESO=C(O)Nc1cnn(CCN2CCOCC2)c1
InChIInChI=1S/C10H16N4O3/c15-10(16)12-9-7-11-14(8-9)2-1-13-3-5-17-6-4-13/h7-8,12H,1-6H2,(H,15,16)
InChIKeyICOYAJYVGBKQGV-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.31
Rot. Bonds4

About [1-(2-morpholin-4-ylethyl)pyrazol-4-yl]carbamic acid

[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]carbamic acid (PubChem CID 68570685) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is [1-(2-morpholin-4-ylethyl)pyrazol-4-yl]carbamic acid.

Molecular Properties

Compound Name[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]carbamic acid
PubChem CID68570685
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]carbamic acid
SMILESO=C(O)Nc1cnn(CCN2CCOCC2)c1
InChIInChI=1S/C10H16N4O3/c15-10(16)12-9-7-11-14(8-9)2-1-13-3-5-17-6-4-13/h7-8,12H,1-6H2,(H,15,16)
InChIKeyICOYAJYVGBKQGV-UHFFFAOYSA-N
XLogP0.31
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(2-morpholin-4-ylethyl)pyrazol-4-yl]carbamic acid?
The IUPAC name of [1-(2-morpholin-4-ylethyl)pyrazol-4-yl]carbamic acid (CID 68570685) is [1-(2-morpholin-4-ylethyl)pyrazol-4-yl]carbamic acid.
What is the SMILES notation for [1-(2-morpholin-4-ylethyl)pyrazol-4-yl]carbamic acid?
The canonical SMILES for [1-(2-morpholin-4-ylethyl)pyrazol-4-yl]carbamic acid is O=C(O)Nc1cnn(CCN2CCOCC2)c1.
What is the InChIKey of [1-(2-morpholin-4-ylethyl)pyrazol-4-yl]carbamic acid?
The InChIKey is ICOYAJYVGBKQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c15-10(16)12-9-7-11-14(8-9)2-1-13-3-5-17-6-4-13/h7-8,12H,1-6H2,(H,15,16).
What are the key properties of [1-(2-morpholin-4-ylethyl)pyrazol-4-yl]carbamic acid?
[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]carbamic acid has a molecular weight of 240.26 g/mol, XLogP of 0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-morpholin-4-ylethyl)pyrazol-4-yl]carbamic acid is sourced from PubChem (CID 68570685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).