(E)-N-[1-(2-methylpyrazol-3-yl)ethyl]pent-3-en-1-amine

C11H19N3 — CID 106758084

IUPAC(E)-N-[1-(2-methylpyrazol-3-yl)ethyl]pent-3-en-1-amine
SMILESC/C=C/CCNC(C)c1ccnn1C
InChIInChI=1S/C11H19N3/c1-4-5-6-8-12-10(2)11-7-9-13-14(11)3/h4-5,7,9-10,12H,6,8H2,1-3H3/b5-4+
InChIKeyLNRFXHSCTJLAEP-SNAWJCMRSA-N
MW193.29 g/mol
LogP2.04
Rot. Bonds5

About (E)-N-[1-(2-methylpyrazol-3-yl)ethyl]pent-3-en-1-amine

(E)-N-[1-(2-methylpyrazol-3-yl)ethyl]pent-3-en-1-amine (PubChem CID 106758084) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is (E)-N-[1-(2-methylpyrazol-3-yl)ethyl]pent-3-en-1-amine.

Molecular Properties

Compound Name(E)-N-[1-(2-methylpyrazol-3-yl)ethyl]pent-3-en-1-amine
PubChem CID106758084
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name(E)-N-[1-(2-methylpyrazol-3-yl)ethyl]pent-3-en-1-amine
SMILESC/C=C/CCNC(C)c1ccnn1C
InChIInChI=1S/C11H19N3/c1-4-5-6-8-12-10(2)11-7-9-13-14(11)3/h4-5,7,9-10,12H,6,8H2,1-3H3/b5-4+
InChIKeyLNRFXHSCTJLAEP-SNAWJCMRSA-N
XLogP2.04
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[1-(2-methylpyrazol-3-yl)ethyl]ethane-1,2-diamine
CID 66657947
3,3,3-trifluoro-N-[1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 106757793
4-[1-(2-methylpyrazol-3-yl)ethylamino]butanamide
CID 106757536
2,2-difluoro-N-[1-(2-methylpyrazol-3-yl)ethyl]ethanamine
CID 106757996
N'-methyl-N-[1-(2-methylpyrazol-3-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine
CID 106757769
2-ethyl-N-[1-(2-methylpyrazol-3-yl)ethyl]butan-1-amine
CID 106758131
N-benzyl-1-(2-methylpyrazol-3-yl)ethanamine
CID 106756794
N-[1-(2-methylpyrazol-3-yl)ethyl]-3-phenylbutan-1-amine
CID 106757786
4,4,4-trifluoro-N-[1-(2-methylpyrazol-3-yl)ethyl]butan-1-amine
CID 106757998
2-methyl-N-[1-(2-methylpyrazol-3-yl)ethyl]prop-2-en-1-amine
CID 106758152
2-[1-(2-methylpyrazol-3-yl)ethylamino]-N-propan-2-ylacetamide
CID 106757076
2,2-dimethyl-N-[1-(2-methylpyrazol-3-yl)ethyl]butan-1-amine
CID 106758170

Frequently Asked Questions

What is the IUPAC name of (E)-N-[1-(2-methylpyrazol-3-yl)ethyl]pent-3-en-1-amine?
The IUPAC name of (E)-N-[1-(2-methylpyrazol-3-yl)ethyl]pent-3-en-1-amine (CID 106758084) is (E)-N-[1-(2-methylpyrazol-3-yl)ethyl]pent-3-en-1-amine.
What is the SMILES notation for (E)-N-[1-(2-methylpyrazol-3-yl)ethyl]pent-3-en-1-amine?
The canonical SMILES for (E)-N-[1-(2-methylpyrazol-3-yl)ethyl]pent-3-en-1-amine is C/C=C/CCNC(C)c1ccnn1C.
What is the InChIKey of (E)-N-[1-(2-methylpyrazol-3-yl)ethyl]pent-3-en-1-amine?
The InChIKey is LNRFXHSCTJLAEP-SNAWJCMRSA-N. The full InChI is InChI=1S/C11H19N3/c1-4-5-6-8-12-10(2)11-7-9-13-14(11)3/h4-5,7,9-10,12H,6,8H2,1-3H3/b5-4+.
What are the key properties of (E)-N-[1-(2-methylpyrazol-3-yl)ethyl]pent-3-en-1-amine?
(E)-N-[1-(2-methylpyrazol-3-yl)ethyl]pent-3-en-1-amine has a molecular weight of 193.29 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[1-(2-methylpyrazol-3-yl)ethyl]pent-3-en-1-amine is sourced from PubChem (CID 106758084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).