(1H-pyrazol-5-ylamino)carbamic acid

C4H6N4O2 — CID 151791775

IUPAC(1H-pyrazol-5-ylamino)carbamic acid
SMILESO=C(O)NNc1ccn[nH]1
InChIInChI=1S/C4H6N4O2/c9-4(10)8-7-3-1-2-5-6-3/h1-2,8H,(H,9,10)(H2,5,6,7)
InChIKeyRWTPHSWCFOLRNE-UHFFFAOYSA-N
MW142.12 g/mol
LogP0.00
Rot. Bonds2

About (1H-pyrazol-5-ylamino)carbamic acid

(1H-pyrazol-5-ylamino)carbamic acid (PubChem CID 151791775) has the molecular formula C4H6N4O2 and a molecular weight of 142.12 g/mol. Its IUPAC name is (1H-pyrazol-5-ylamino)carbamic acid.

Molecular Properties

Compound Name(1H-pyrazol-5-ylamino)carbamic acid
PubChem CID151791775
Molecular FormulaC4H6N4O2
Molecular Weight142.12 g/mol
Exact Mass142.05
IUPAC Name(1H-pyrazol-5-ylamino)carbamic acid
SMILESO=C(O)NNc1ccn[nH]1
InChIInChI=1S/C4H6N4O2/c9-4(10)8-7-3-1-2-5-6-3/h1-2,8H,(H,9,10)(H2,5,6,7)
InChIKeyRWTPHSWCFOLRNE-UHFFFAOYSA-N
XLogP0.00
TPSA90.04 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.12
LogP ≤ 50.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1H-pyrazol-5-ylamino)carbamic acid?
The IUPAC name of (1H-pyrazol-5-ylamino)carbamic acid (CID 151791775) is (1H-pyrazol-5-ylamino)carbamic acid.
What is the SMILES notation for (1H-pyrazol-5-ylamino)carbamic acid?
The canonical SMILES for (1H-pyrazol-5-ylamino)carbamic acid is O=C(O)NNc1ccn[nH]1.
What is the InChIKey of (1H-pyrazol-5-ylamino)carbamic acid?
The InChIKey is RWTPHSWCFOLRNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4O2/c9-4(10)8-7-3-1-2-5-6-3/h1-2,8H,(H,9,10)(H2,5,6,7).
What are the key properties of (1H-pyrazol-5-ylamino)carbamic acid?
(1H-pyrazol-5-ylamino)carbamic acid has a molecular weight of 142.12 g/mol, XLogP of 0.00, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1H-pyrazol-5-ylamino)carbamic acid is sourced from PubChem (CID 151791775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).