N-[2-[bis(ethylamino)methylideneamino]ethyl]-1H-pyrazole-5-carboxamide

C11H20N6O — CID 110017698

IUPACN-[2-[bis(ethylamino)methylideneamino]ethyl]-1H-pyrazole-5-carboxamide
SMILESCCNC(=NCCNC(=O)c1ccn[nH]1)NCC
InChIInChI=1S/C11H20N6O/c1-3-12-11(13-4-2)15-8-7-14-10(18)9-5-6-16-17-9/h5-6H,3-4,7-8H2,1-2H3,(H,14,18)(H,16,17)(H2,12,13,15)
InChIKeyCJJFDBSOKRBQCN-UHFFFAOYSA-N
MW252.32 g/mol
LogP-0.29
Rot. Bonds6

About N-[2-[bis(ethylamino)methylideneamino]ethyl]-1H-pyrazole-5-carboxamide

N-[2-[bis(ethylamino)methylideneamino]ethyl]-1H-pyrazole-5-carboxamide (PubChem CID 110017698) has the molecular formula C11H20N6O and a molecular weight of 252.32 g/mol. Its IUPAC name is N-[2-[bis(ethylamino)methylideneamino]ethyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[bis(ethylamino)methylideneamino]ethyl]-1H-pyrazole-5-carboxamide
PubChem CID110017698
Molecular FormulaC11H20N6O
Molecular Weight252.32 g/mol
Exact Mass252.17
IUPAC NameN-[2-[bis(ethylamino)methylideneamino]ethyl]-1H-pyrazole-5-carboxamide
SMILESCCNC(=NCCNC(=O)c1ccn[nH]1)NCC
InChIInChI=1S/C11H20N6O/c1-3-12-11(13-4-2)15-8-7-14-10(18)9-5-6-16-17-9/h5-6H,3-4,7-8H2,1-2H3,(H,14,18)(H,16,17)(H2,12,13,15)
InChIKeyCJJFDBSOKRBQCN-UHFFFAOYSA-N
XLogP-0.29
TPSA94.20 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 5-0.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-sulfamoylethyl)-1H-pyrazole-5-carboxamide
CID 61067022
N-[2-[bis(ethylamino)methylideneamino]ethyl]-4-chlorobenzamide
CID 138994545
N-[2-[bis(ethylamino)methylideneamino]ethyl]-4-methoxybenzamide
CID 110918641
N-[2-(2-methylprop-2-enoxy)ethyl]-1H-pyrazole-5-carboxamide
CID 115700228
N-[2-[bis(ethylamino)methylideneamino]ethyl]-3-methylbenzamide
CID 110917968
4-[2-(1H-pyrazole-5-carbonylamino)ethyl]benzenesulfonyl chloride
CID 63084257
N-[2-[(2-phenylbenzoyl)amino]ethyl]-1H-pyrazole-5-carboxamide
CID 75500880
N-[3-[methyl(methylsulfonyl)amino]propyl]-1H-pyrazole-5-carboxamide
CID 167894879
4-bromo-N-[2-[(N-ethyl-N'-propylcarbamimidoyl)amino]ethyl]benzamide
CID 111225655
N-[2-[(5-bromo-6-methyl-2-pyridinyl)amino]ethyl]-1H-pyrazole-5-carboxamide
CID 133452838
N-(2-piperazin-1-ylethyl)-1H-pyrazole-5-carboxamide;hydrochloride
CID 119446239
3-methyl-2-[(1H-pyrazole-5-carbonylamino)methyl]butanoic acid
CID 65220054

Frequently Asked Questions

What is the IUPAC name of N-[2-[bis(ethylamino)methylideneamino]ethyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[2-[bis(ethylamino)methylideneamino]ethyl]-1H-pyrazole-5-carboxamide (CID 110017698) is N-[2-[bis(ethylamino)methylideneamino]ethyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[2-[bis(ethylamino)methylideneamino]ethyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[2-[bis(ethylamino)methylideneamino]ethyl]-1H-pyrazole-5-carboxamide is CCNC(=NCCNC(=O)c1ccn[nH]1)NCC.
What is the InChIKey of N-[2-[bis(ethylamino)methylideneamino]ethyl]-1H-pyrazole-5-carboxamide?
The InChIKey is CJJFDBSOKRBQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6O/c1-3-12-11(13-4-2)15-8-7-14-10(18)9-5-6-16-17-9/h5-6H,3-4,7-8H2,1-2H3,(H,14,18)(H,16,17)(H2,12,13,15).
What are the key properties of N-[2-[bis(ethylamino)methylideneamino]ethyl]-1H-pyrazole-5-carboxamide?
N-[2-[bis(ethylamino)methylideneamino]ethyl]-1H-pyrazole-5-carboxamide has a molecular weight of 252.32 g/mol, XLogP of -0.29, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[bis(ethylamino)methylideneamino]ethyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 110017698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).