ethyl (1Z)-N-(4-butyl-1H-pyrazol-5-yl)propanimidate

C12H21N3O — CID 10537068

IUPACethyl (1Z)-N-(4-butyl-1H-pyrazol-5-yl)propanimidate
SMILESCCCCc1cn[nH]c1/N=C(/CC)OCC
InChIInChI=1S/C12H21N3O/c1-4-7-8-10-9-13-15-12(10)14-11(5-2)16-6-3/h9H,4-8H2,1-3H3,(H,13,15)/b14-11-
InChIKeyYACIZDBPVHPSLA-KAMYIIQDSA-N
MW223.32 g/mol
LogP3.23
Rot. Bonds6

About ethyl (1Z)-N-(4-butyl-1H-pyrazol-5-yl)propanimidate

ethyl (1Z)-N-(4-butyl-1H-pyrazol-5-yl)propanimidate (PubChem CID 10537068) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is ethyl (1Z)-N-(4-butyl-1H-pyrazol-5-yl)propanimidate.

Molecular Properties

Compound Nameethyl (1Z)-N-(4-butyl-1H-pyrazol-5-yl)propanimidate
PubChem CID10537068
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Nameethyl (1Z)-N-(4-butyl-1H-pyrazol-5-yl)propanimidate
SMILESCCCCc1cn[nH]c1/N=C(/CC)OCC
InChIInChI=1S/C12H21N3O/c1-4-7-8-10-9-13-15-12(10)14-11(5-2)16-6-3/h9H,4-8H2,1-3H3,(H,13,15)/b14-11-
InChIKeyYACIZDBPVHPSLA-KAMYIIQDSA-N
XLogP3.23
TPSA50.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-butyl-1H-pyrazole-5-carboxamide
CID 141158124
(Z)-2-[(E)-C-ethyl-N-(4-methyl-1H-pyrazol-5-yl)carbonimidoyl]hex-1-en-1-amine
CID 163302595
N'-(4-ethyl-1H-pyrazol-5-yl)-N-hydroxypentanimidamide
CID 54452276
4-butyl-1H-pyrazole-5-carboxylic acid
CID 69226428
4,5-dipentyl-1H-pyrazole
CID 66669086
5-butyl-4-ethyl-1H-pyrazole
CID 147341447
N'-(4-methyl-1H-pyrazol-5-yl)propanimidamide
CID 54246930
4,5-dipentyl-1H-pyridazin-6-one
CID 174602267
N'-(4-ethyl-1H-pyrazol-5-yl)-N-hydroxyethanimidamide
CID 22864853
4,5-dihexyl-1H-pyrazole;hydrobromide
CID 174859356
4-pentyl-5-prop-2-enyl-1H-pyrazole
CID 174864439
1-butyl-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]thiourea
CID 115577702

Frequently Asked Questions

What is the IUPAC name of ethyl (1Z)-N-(4-butyl-1H-pyrazol-5-yl)propanimidate?
The IUPAC name of ethyl (1Z)-N-(4-butyl-1H-pyrazol-5-yl)propanimidate (CID 10537068) is ethyl (1Z)-N-(4-butyl-1H-pyrazol-5-yl)propanimidate.
What is the SMILES notation for ethyl (1Z)-N-(4-butyl-1H-pyrazol-5-yl)propanimidate?
The canonical SMILES for ethyl (1Z)-N-(4-butyl-1H-pyrazol-5-yl)propanimidate is CCCCc1cn[nH]c1/N=C(/CC)OCC.
What is the InChIKey of ethyl (1Z)-N-(4-butyl-1H-pyrazol-5-yl)propanimidate?
The InChIKey is YACIZDBPVHPSLA-KAMYIIQDSA-N. The full InChI is InChI=1S/C12H21N3O/c1-4-7-8-10-9-13-15-12(10)14-11(5-2)16-6-3/h9H,4-8H2,1-3H3,(H,13,15)/b14-11-.
What are the key properties of ethyl (1Z)-N-(4-butyl-1H-pyrazol-5-yl)propanimidate?
ethyl (1Z)-N-(4-butyl-1H-pyrazol-5-yl)propanimidate has a molecular weight of 223.32 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1Z)-N-(4-butyl-1H-pyrazol-5-yl)propanimidate is sourced from PubChem (CID 10537068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).