methyl N-[amino(pyrazol-1-yl)methylidene]carbamate

C6H8N4O2 — CID 72641374

IUPACmethyl N-[amino(pyrazol-1-yl)methylidene]carbamate
SMILESCOC(=O)N=C(N)n1cccn1
InChIInChI=1S/C6H8N4O2/c1-12-6(11)9-5(7)10-4-2-3-8-10/h2-4H,1H3,(H2,7,9,11)
InChIKeyOWOSHUGODNIKDJ-UHFFFAOYSA-N
MW168.16 g/mol
LogP-0.19
Rot. Bonds

About methyl N-[amino(pyrazol-1-yl)methylidene]carbamate

methyl N-[amino(pyrazol-1-yl)methylidene]carbamate (PubChem CID 72641374) has the molecular formula C6H8N4O2 and a molecular weight of 168.16 g/mol. Its IUPAC name is methyl N-[amino(pyrazol-1-yl)methylidene]carbamate.

Molecular Properties

Compound Namemethyl N-[amino(pyrazol-1-yl)methylidene]carbamate
PubChem CID72641374
Molecular FormulaC6H8N4O2
Molecular Weight168.16 g/mol
Exact Mass168.06
IUPAC Namemethyl N-[amino(pyrazol-1-yl)methylidene]carbamate
SMILESCOC(=O)N=C(N)n1cccn1
InChIInChI=1S/C6H8N4O2/c1-12-6(11)9-5(7)10-4-2-3-8-10/h2-4H,1H3,(H2,7,9,11)
InChIKeyOWOSHUGODNIKDJ-UHFFFAOYSA-N
XLogP-0.19
TPSA82.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.16
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl N-[amino(pyrazol-1-yl)methylidene]carbamate?
The IUPAC name of methyl N-[amino(pyrazol-1-yl)methylidene]carbamate (CID 72641374) is methyl N-[amino(pyrazol-1-yl)methylidene]carbamate.
What is the SMILES notation for methyl N-[amino(pyrazol-1-yl)methylidene]carbamate?
The canonical SMILES for methyl N-[amino(pyrazol-1-yl)methylidene]carbamate is COC(=O)N=C(N)n1cccn1.
What is the InChIKey of methyl N-[amino(pyrazol-1-yl)methylidene]carbamate?
The InChIKey is OWOSHUGODNIKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O2/c1-12-6(11)9-5(7)10-4-2-3-8-10/h2-4H,1H3,(H2,7,9,11).
What are the key properties of methyl N-[amino(pyrazol-1-yl)methylidene]carbamate?
methyl N-[amino(pyrazol-1-yl)methylidene]carbamate has a molecular weight of 168.16 g/mol, XLogP of -0.19, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[amino(pyrazol-1-yl)methylidene]carbamate is sourced from PubChem (CID 72641374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).