N-(4-ethenyl-5-prop-1-en-2-yl-1H-pyrazol-3-yl)ethanimine

C10H13N3 — CID 130336785

IUPACN-(4-ethenyl-5-prop-1-en-2-yl-1H-pyrazol-3-yl)ethanimine
SMILESC=Cc1c(/N=C/C)n[nH]c1C(=C)C
InChIInChI=1S/C10H13N3/c1-5-8-9(7(3)4)12-13-10(8)11-6-2/h5-6H,1,3H2,2,4H3,(H,12,13)/b11-6+
InChIKeyCLSQFAWFTFKQKI-IZZDOVSWSA-N
MW175.23 g/mol
LogP2.81
Rot. Bonds3

About N-(4-ethenyl-5-prop-1-en-2-yl-1H-pyrazol-3-yl)ethanimine

N-(4-ethenyl-5-prop-1-en-2-yl-1H-pyrazol-3-yl)ethanimine (PubChem CID 130336785) has the molecular formula C10H13N3 and a molecular weight of 175.23 g/mol. Its IUPAC name is N-(4-ethenyl-5-prop-1-en-2-yl-1H-pyrazol-3-yl)ethanimine.

Molecular Properties

Compound NameN-(4-ethenyl-5-prop-1-en-2-yl-1H-pyrazol-3-yl)ethanimine
PubChem CID130336785
Molecular FormulaC10H13N3
Molecular Weight175.23 g/mol
Exact Mass175.11
IUPAC NameN-(4-ethenyl-5-prop-1-en-2-yl-1H-pyrazol-3-yl)ethanimine
SMILESC=Cc1c(/N=C/C)n[nH]c1C(=C)C
InChIInChI=1S/C10H13N3/c1-5-8-9(7(3)4)12-13-10(8)11-6-2/h5-6H,1,3H2,2,4H3,(H,12,13)/b11-6+
InChIKeyCLSQFAWFTFKQKI-IZZDOVSWSA-N
XLogP2.81
TPSA41.04 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[5-methyl-4-[(Z)-prop-1-enyl]-1H-pyrazol-3-yl]methanimine
CID 134224296
5-ethyl-4-[(3E,5E)-6-fluorohepta-1,3,5-trien-3-yl]-1H-pyrazol-3-amine
CID 144979719
3-[(3E,5E)-5-fluorohepta-1,3,5-trien-3-yl]-6-prop-1-en-2-yl-4,5-dihydro-2H-pyrazolo[3,4-b]pyridine
CID 143710840
5-(3H-pyrrol-4-yl)-1H-pyrazol-3-amine
CID 58970119
3-methyl-4,5-dihydro-2H-pyrazolo[3,4-b]pyridine
CID 68342855
5-ethyl-4-[(2E,4E)-hexa-2,4-dien-3-yl]-1H-pyrazol-3-amine
CID 118614865
4-methyl-5-[(3Z)-penta-1,3-dien-2-yl]-1H-pyrazole
CID 122678267
3-propan-2-yl-6,7-dihydro-2H-pyrazolo[3,4-c]pyridazine
CID 122696533
5-(2,3-dihydropyridin-5-yl)-4-methyl-1H-pyrazol-3-amine
CID 123495409
5-buta-1,3-dien-2-yl-4-methyl-1H-pyrazole
CID 123564030
4-buta-1,3-dien-2-yl-5-(2-methylpropyl)-1H-pyrazol-3-amine
CID 123684139
5-penta-1,3-dien-2-yl-1H-pyrazol-3-amine
CID 123932139

Frequently Asked Questions

What is the IUPAC name of N-(4-ethenyl-5-prop-1-en-2-yl-1H-pyrazol-3-yl)ethanimine?
The IUPAC name of N-(4-ethenyl-5-prop-1-en-2-yl-1H-pyrazol-3-yl)ethanimine (CID 130336785) is N-(4-ethenyl-5-prop-1-en-2-yl-1H-pyrazol-3-yl)ethanimine.
What is the SMILES notation for N-(4-ethenyl-5-prop-1-en-2-yl-1H-pyrazol-3-yl)ethanimine?
The canonical SMILES for N-(4-ethenyl-5-prop-1-en-2-yl-1H-pyrazol-3-yl)ethanimine is C=Cc1c(/N=C/C)n[nH]c1C(=C)C.
What is the InChIKey of N-(4-ethenyl-5-prop-1-en-2-yl-1H-pyrazol-3-yl)ethanimine?
The InChIKey is CLSQFAWFTFKQKI-IZZDOVSWSA-N. The full InChI is InChI=1S/C10H13N3/c1-5-8-9(7(3)4)12-13-10(8)11-6-2/h5-6H,1,3H2,2,4H3,(H,12,13)/b11-6+.
What are the key properties of N-(4-ethenyl-5-prop-1-en-2-yl-1H-pyrazol-3-yl)ethanimine?
N-(4-ethenyl-5-prop-1-en-2-yl-1H-pyrazol-3-yl)ethanimine has a molecular weight of 175.23 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethenyl-5-prop-1-en-2-yl-1H-pyrazol-3-yl)ethanimine is sourced from PubChem (CID 130336785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).