(4-cyano-1H-pyrazol-5-yl)carbamic acid

C5H4N4O2 — CID 22343254

IUPAC(4-cyano-1H-pyrazol-5-yl)carbamic acid
SMILESN#Cc1cn[nH]c1NC(=O)O
InChIInChI=1S/C5H4N4O2/c6-1-3-2-7-9-4(3)8-5(10)11/h2H,(H,10,11)(H2,7,8,9)
InChIKeyKLXJECNZUXCPRQ-UHFFFAOYSA-N
MW152.11 g/mol
LogP0.37
Rot. Bonds1

About (4-cyano-1H-pyrazol-5-yl)carbamic acid

(4-cyano-1H-pyrazol-5-yl)carbamic acid (PubChem CID 22343254) has the molecular formula C5H4N4O2 and a molecular weight of 152.11 g/mol. Its IUPAC name is (4-cyano-1H-pyrazol-5-yl)carbamic acid.

Molecular Properties

Compound Name(4-cyano-1H-pyrazol-5-yl)carbamic acid
PubChem CID22343254
Molecular FormulaC5H4N4O2
Molecular Weight152.11 g/mol
Exact Mass152.03
IUPAC Name(4-cyano-1H-pyrazol-5-yl)carbamic acid
SMILESN#Cc1cn[nH]c1NC(=O)O
InChIInChI=1S/C5H4N4O2/c6-1-3-2-7-9-4(3)8-5(10)11/h2H,(H,10,11)(H2,7,8,9)
InChIKeyKLXJECNZUXCPRQ-UHFFFAOYSA-N
XLogP0.37
TPSA101.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.11
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-cyano-1H-pyrazol-5-yl)carbamic acid?
The IUPAC name of (4-cyano-1H-pyrazol-5-yl)carbamic acid (CID 22343254) is (4-cyano-1H-pyrazol-5-yl)carbamic acid.
What is the SMILES notation for (4-cyano-1H-pyrazol-5-yl)carbamic acid?
The canonical SMILES for (4-cyano-1H-pyrazol-5-yl)carbamic acid is N#Cc1cn[nH]c1NC(=O)O.
What is the InChIKey of (4-cyano-1H-pyrazol-5-yl)carbamic acid?
The InChIKey is KLXJECNZUXCPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N4O2/c6-1-3-2-7-9-4(3)8-5(10)11/h2H,(H,10,11)(H2,7,8,9).
What are the key properties of (4-cyano-1H-pyrazol-5-yl)carbamic acid?
(4-cyano-1H-pyrazol-5-yl)carbamic acid has a molecular weight of 152.11 g/mol, XLogP of 0.37, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyano-1H-pyrazol-5-yl)carbamic acid is sourced from PubChem (CID 22343254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).