1H-pyrazol-5-ylmethyl imidazole-1-carboxylate

C8H8N4O2 — CID 162292240

IUPAC1H-pyrazol-5-ylmethyl imidazole-1-carboxylate
SMILESO=C(OCc1ccn[nH]1)n1ccnc1
InChIInChI=1S/C8H8N4O2/c13-8(12-4-3-9-6-12)14-5-7-1-2-10-11-7/h1-4,6H,5H2,(H,10,11)
InChIKeyNEUGMZDTWCDIOZ-UHFFFAOYSA-N
MW192.18 g/mol
LogP0.79
Rot. Bonds2

About 1H-pyrazol-5-ylmethyl imidazole-1-carboxylate

1H-pyrazol-5-ylmethyl imidazole-1-carboxylate (PubChem CID 162292240) has the molecular formula C8H8N4O2 and a molecular weight of 192.18 g/mol. Its IUPAC name is 1H-pyrazol-5-ylmethyl imidazole-1-carboxylate.

Molecular Properties

Compound Name1H-pyrazol-5-ylmethyl imidazole-1-carboxylate
PubChem CID162292240
Molecular FormulaC8H8N4O2
Molecular Weight192.18 g/mol
Exact Mass192.06
IUPAC Name1H-pyrazol-5-ylmethyl imidazole-1-carboxylate
SMILESO=C(OCc1ccn[nH]1)n1ccnc1
InChIInChI=1S/C8H8N4O2/c13-8(12-4-3-9-6-12)14-5-7-1-2-10-11-7/h1-4,6H,5H2,(H,10,11)
InChIKeyNEUGMZDTWCDIOZ-UHFFFAOYSA-N
XLogP0.79
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1H-pyrazol-5-ylmethyl imidazole-1-carboxylate?
The IUPAC name of 1H-pyrazol-5-ylmethyl imidazole-1-carboxylate (CID 162292240) is 1H-pyrazol-5-ylmethyl imidazole-1-carboxylate.
What is the SMILES notation for 1H-pyrazol-5-ylmethyl imidazole-1-carboxylate?
The canonical SMILES for 1H-pyrazol-5-ylmethyl imidazole-1-carboxylate is O=C(OCc1ccn[nH]1)n1ccnc1.
What is the InChIKey of 1H-pyrazol-5-ylmethyl imidazole-1-carboxylate?
The InChIKey is NEUGMZDTWCDIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O2/c13-8(12-4-3-9-6-12)14-5-7-1-2-10-11-7/h1-4,6H,5H2,(H,10,11).
What are the key properties of 1H-pyrazol-5-ylmethyl imidazole-1-carboxylate?
1H-pyrazol-5-ylmethyl imidazole-1-carboxylate has a molecular weight of 192.18 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrazol-5-ylmethyl imidazole-1-carboxylate is sourced from PubChem (CID 162292240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).