2-(3-amino-1H-pyrazol-5-yl)ethylcarbamic acid

C6H10N4O2 — CID 122423938

IUPAC2-(3-amino-1H-pyrazol-5-yl)ethylcarbamic acid
SMILESNc1cc(CCNC(=O)O)[nH]n1
InChIInChI=1S/C6H10N4O2/c7-5-3-4(9-10-5)1-2-8-6(11)12/h3,8H,1-2H2,(H,11,12)(H3,7,9,10)
InChIKeyNYGYQVXMSUCOML-UHFFFAOYSA-N
MW170.17 g/mol
LogP-0.20
Rot. Bonds3

About 2-(3-amino-1H-pyrazol-5-yl)ethylcarbamic acid

2-(3-amino-1H-pyrazol-5-yl)ethylcarbamic acid (PubChem CID 122423938) has the molecular formula C6H10N4O2 and a molecular weight of 170.17 g/mol. Its IUPAC name is 2-(3-amino-1H-pyrazol-5-yl)ethylcarbamic acid.

Molecular Properties

Compound Name2-(3-amino-1H-pyrazol-5-yl)ethylcarbamic acid
PubChem CID122423938
Molecular FormulaC6H10N4O2
Molecular Weight170.17 g/mol
Exact Mass170.08
IUPAC Name2-(3-amino-1H-pyrazol-5-yl)ethylcarbamic acid
SMILESNc1cc(CCNC(=O)O)[nH]n1
InChIInChI=1S/C6H10N4O2/c7-5-3-4(9-10-5)1-2-8-6(11)12/h3,8H,1-2H2,(H,11,12)(H3,7,9,10)
InChIKeyNYGYQVXMSUCOML-UHFFFAOYSA-N
XLogP-0.20
TPSA104.03 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-0.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1H-pyrazol-5-yl)ethylcarbamic acid?
The IUPAC name of 2-(3-amino-1H-pyrazol-5-yl)ethylcarbamic acid (CID 122423938) is 2-(3-amino-1H-pyrazol-5-yl)ethylcarbamic acid.
What is the SMILES notation for 2-(3-amino-1H-pyrazol-5-yl)ethylcarbamic acid?
The canonical SMILES for 2-(3-amino-1H-pyrazol-5-yl)ethylcarbamic acid is Nc1cc(CCNC(=O)O)[nH]n1.
What is the InChIKey of 2-(3-amino-1H-pyrazol-5-yl)ethylcarbamic acid?
The InChIKey is NYGYQVXMSUCOML-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O2/c7-5-3-4(9-10-5)1-2-8-6(11)12/h3,8H,1-2H2,(H,11,12)(H3,7,9,10).
What are the key properties of 2-(3-amino-1H-pyrazol-5-yl)ethylcarbamic acid?
2-(3-amino-1H-pyrazol-5-yl)ethylcarbamic acid has a molecular weight of 170.17 g/mol, XLogP of -0.20, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1H-pyrazol-5-yl)ethylcarbamic acid is sourced from PubChem (CID 122423938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).