copper(1+);1H-pyrazole-5-carboxylate

C4H3CuN2O2 — CID 70037114

IUPACcopper(1+);1H-pyrazole-5-carboxylate
SMILESO=C([O-])c1ccn[nH]1.[Cu+]
InChIInChI=1S/C4H4N2O2.Cu/c7-4(8)3-1-2-5-6-3;/h1-2H,(H,5,6)(H,7,8);/q;+1/p-1
InChIKeyOFHVUQMLCUNQHZ-UHFFFAOYSA-M
MW174.63 g/mol
LogP-1.23
Rot. Bonds1

About copper(1+);1H-pyrazole-5-carboxylate

copper(1+);1H-pyrazole-5-carboxylate (PubChem CID 70037114) has the molecular formula C4H3CuN2O2 and a molecular weight of 174.63 g/mol. Its IUPAC name is copper(1+);1H-pyrazole-5-carboxylate.

Molecular Properties

Compound Namecopper(1+);1H-pyrazole-5-carboxylate
PubChem CID70037114
Molecular FormulaC4H3CuN2O2
Molecular Weight174.63 g/mol
Exact Mass173.95
IUPAC Namecopper(1+);1H-pyrazole-5-carboxylate
SMILESO=C([O-])c1ccn[nH]1.[Cu+]
InChIInChI=1S/C4H4N2O2.Cu/c7-4(8)3-1-2-5-6-3;/h1-2H,(H,5,6)(H,7,8);/q;+1/p-1
InChIKeyOFHVUQMLCUNQHZ-UHFFFAOYSA-M
XLogP-1.23
TPSA68.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.63
LogP ≤ 5-1.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

octakis((5Z)-cycloocta-1,5-diene);bis(iridium);octakis(1H-pyrazole-5-carboxylate)
CID 173040910
copper;bis(1H-pyrazole-5-carboxylate);pyridine
CID 174826525
1H-pyrazole-5-carboxylic acid;zinc
CID 158581218
1H-pyrazole-5-carboxamide;hydrate
CID 172743817
dihydroxy(oxo)phosphanium;1H-pyrazole-5-carboxylic acid
CID 158864481
2-(1H-pyrazol-5-yl)prop-2-enoic acid
CID 68994792
carboxy 1H-pyrazole-5-carboxylate
CID 154449295
(4-chlorophenyl)-(1H-pyrazol-5-yl)methanone
CID 15880397
N-phenyl-1H-pyrazole-5-carboxamide
CID 680935
N-ethyl-N-methyl-1H-pyrazole-5-carboxamide
CID 70181889
1H-imidazole;1H-pyrazole-5-carboxylic acid
CID 69227863
N'-benzoyl-1H-pyrazole-5-carbohydrazide
CID 12921225

Frequently Asked Questions

What is the IUPAC name of copper(1+);1H-pyrazole-5-carboxylate?
The IUPAC name of copper(1+);1H-pyrazole-5-carboxylate (CID 70037114) is copper(1+);1H-pyrazole-5-carboxylate.
What is the SMILES notation for copper(1+);1H-pyrazole-5-carboxylate?
The canonical SMILES for copper(1+);1H-pyrazole-5-carboxylate is O=C([O-])c1ccn[nH]1.[Cu+].
What is the InChIKey of copper(1+);1H-pyrazole-5-carboxylate?
The InChIKey is OFHVUQMLCUNQHZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H4N2O2.Cu/c7-4(8)3-1-2-5-6-3;/h1-2H,(H,5,6)(H,7,8);/q;+1/p-1.
What are the key properties of copper(1+);1H-pyrazole-5-carboxylate?
copper(1+);1H-pyrazole-5-carboxylate has a molecular weight of 174.63 g/mol, XLogP of -1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for copper(1+);1H-pyrazole-5-carboxylate is sourced from PubChem (CID 70037114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).