N-[2-(1H-pyrazole-5-carbonylamino)ethyl]-1H-pyrazole-5-carboxamide

C10H12N6O2 — CID 565685

IUPACN-[2-(1H-pyrazole-5-carbonylamino)ethyl]-1H-pyrazole-5-carboxamide
SMILESO=C(NCCNC(=O)c1ccn[nH]1)c1ccn[nH]1
InChIInChI=1S/C10H12N6O2/c17-9(7-1-3-13-15-7)11-5-6-12-10(18)8-2-4-14-16-8/h1-4H,5-6H2,(H,11,17)(H,12,18)(H,13,15)(H,14,16)
InChIKeyXHNSRUNIOXHQCC-UHFFFAOYSA-N
MW248.25 g/mol
LogP-0.71
Rot. Bonds5

About N-[2-(1H-pyrazole-5-carbonylamino)ethyl]-1H-pyrazole-5-carboxamide

N-[2-(1H-pyrazole-5-carbonylamino)ethyl]-1H-pyrazole-5-carboxamide (PubChem CID 565685) has the molecular formula C10H12N6O2 and a molecular weight of 248.25 g/mol. Its IUPAC name is N-[2-(1H-pyrazole-5-carbonylamino)ethyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-pyrazole-5-carbonylamino)ethyl]-1H-pyrazole-5-carboxamide
PubChem CID565685
Molecular FormulaC10H12N6O2
Molecular Weight248.25 g/mol
Exact Mass248.10
IUPAC NameN-[2-(1H-pyrazole-5-carbonylamino)ethyl]-1H-pyrazole-5-carboxamide
SMILESO=C(NCCNC(=O)c1ccn[nH]1)c1ccn[nH]1
InChIInChI=1S/C10H12N6O2/c17-9(7-1-3-13-15-7)11-5-6-12-10(18)8-2-4-14-16-8/h1-4H,5-6H2,(H,11,17)(H,12,18)(H,13,15)(H,14,16)
InChIKeyXHNSRUNIOXHQCC-UHFFFAOYSA-N
XLogP-0.71
TPSA115.56 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 5-0.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-pyrazole-5-carbonylamino)ethyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[2-(1H-pyrazole-5-carbonylamino)ethyl]-1H-pyrazole-5-carboxamide (CID 565685) is N-[2-(1H-pyrazole-5-carbonylamino)ethyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[2-(1H-pyrazole-5-carbonylamino)ethyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[2-(1H-pyrazole-5-carbonylamino)ethyl]-1H-pyrazole-5-carboxamide is O=C(NCCNC(=O)c1ccn[nH]1)c1ccn[nH]1.
What is the InChIKey of N-[2-(1H-pyrazole-5-carbonylamino)ethyl]-1H-pyrazole-5-carboxamide?
The InChIKey is XHNSRUNIOXHQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O2/c17-9(7-1-3-13-15-7)11-5-6-12-10(18)8-2-4-14-16-8/h1-4H,5-6H2,(H,11,17)(H,12,18)(H,13,15)(H,14,16).
What are the key properties of N-[2-(1H-pyrazole-5-carbonylamino)ethyl]-1H-pyrazole-5-carboxamide?
N-[2-(1H-pyrazole-5-carbonylamino)ethyl]-1H-pyrazole-5-carboxamide has a molecular weight of 248.25 g/mol, XLogP of -0.71, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-pyrazole-5-carbonylamino)ethyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 565685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).