(5-aminopyrazol-1-yl)carbamic acid

C4H6N4O2 — CID 170458350

IUPAC(5-aminopyrazol-1-yl)carbamic acid
SMILESNc1ccnn1NC(=O)O
InChIInChI=1S/C4H6N4O2/c5-3-1-2-6-8(3)7-4(9)10/h1-2,7H,5H2,(H,9,10)
InChIKeyJPLZAHSFSBURIV-UHFFFAOYSA-N
MW142.12 g/mol
LogP-0.31
Rot. Bonds1

About (5-aminopyrazol-1-yl)carbamic acid

(5-aminopyrazol-1-yl)carbamic acid (PubChem CID 170458350) has the molecular formula C4H6N4O2 and a molecular weight of 142.12 g/mol. Its IUPAC name is (5-aminopyrazol-1-yl)carbamic acid.

Molecular Properties

Compound Name(5-aminopyrazol-1-yl)carbamic acid
PubChem CID170458350
Molecular FormulaC4H6N4O2
Molecular Weight142.12 g/mol
Exact Mass142.05
IUPAC Name(5-aminopyrazol-1-yl)carbamic acid
SMILESNc1ccnn1NC(=O)O
InChIInChI=1S/C4H6N4O2/c5-3-1-2-6-8(3)7-4(9)10/h1-2,7H,5H2,(H,9,10)
InChIKeyJPLZAHSFSBURIV-UHFFFAOYSA-N
XLogP-0.31
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.12
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-Ureidopyrazole
CID 19911942
Pyrazol-1-ylcarbamic acid
CID 21327343
CID 68726267
CID 68726267
Pyrazolyl carbohydrazide
CID 177860730
carbamic acid;1H-pyrazol-5-amine
CID 67140992
(5-Aminopyrazol-1-yl) carbamate
CID 67140993
carbonic acid;1H-pyrazol-5-amine
CID 69689937
Pyrazol-1-ylcarbamoylcarbamic acid
CID 89456803
amino N-pyrazol-1-ylcarbamate
CID 140457610
N-(5-aminopyrazol-1-yl)butanamide
CID 145836338
amino(1H-pyrazol-5-yl)carbamic acid
CID 150409458
(1H-pyrazol-5-ylamino)carbamic acid
CID 151791775

Frequently Asked Questions

What is the IUPAC name of (5-aminopyrazol-1-yl)carbamic acid?
The IUPAC name of (5-aminopyrazol-1-yl)carbamic acid (CID 170458350) is (5-aminopyrazol-1-yl)carbamic acid.
What is the SMILES notation for (5-aminopyrazol-1-yl)carbamic acid?
The canonical SMILES for (5-aminopyrazol-1-yl)carbamic acid is Nc1ccnn1NC(=O)O.
What is the InChIKey of (5-aminopyrazol-1-yl)carbamic acid?
The InChIKey is JPLZAHSFSBURIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4O2/c5-3-1-2-6-8(3)7-4(9)10/h1-2,7H,5H2,(H,9,10).
What are the key properties of (5-aminopyrazol-1-yl)carbamic acid?
(5-aminopyrazol-1-yl)carbamic acid has a molecular weight of 142.12 g/mol, XLogP of -0.31, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-aminopyrazol-1-yl)carbamic acid is sourced from PubChem (CID 170458350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).