N-ethyl-2-[(1-ethylpyrazol-4-yl)methylidene]-3-methylbutan-1-amine

C13H23N3 — CID 103571015

IUPACN-ethyl-2-[(1-ethylpyrazol-4-yl)methylidene]-3-methylbutan-1-amine
SMILESCCNCC(=Cc1cnn(CC)c1)C(C)C
InChIInChI=1S/C13H23N3/c1-5-14-9-13(11(3)4)7-12-8-15-16(6-2)10-12/h7-8,10-11,14H,5-6,9H2,1-4H3
InChIKeyVHCWCUUVPTVDKI-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.55
Rot. Bonds6

About N-ethyl-2-[(1-ethylpyrazol-4-yl)methylidene]-3-methylbutan-1-amine

N-ethyl-2-[(1-ethylpyrazol-4-yl)methylidene]-3-methylbutan-1-amine (PubChem CID 103571015) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is N-ethyl-2-[(1-ethylpyrazol-4-yl)methylidene]-3-methylbutan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-[(1-ethylpyrazol-4-yl)methylidene]-3-methylbutan-1-amine
PubChem CID103571015
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC NameN-ethyl-2-[(1-ethylpyrazol-4-yl)methylidene]-3-methylbutan-1-amine
SMILESCCNCC(=Cc1cnn(CC)c1)C(C)C
InChIInChI=1S/C13H23N3/c1-5-14-9-13(11(3)4)7-12-8-15-16(6-2)10-12/h7-8,10-11,14H,5-6,9H2,1-4H3
InChIKeyVHCWCUUVPTVDKI-UHFFFAOYSA-N
XLogP2.55
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-ethyl-2-[(1-ethylpyrazol-4-yl)methylidene]-3-methylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-3-(1-ethylpyrazol-4-yl)-2-methyl-N-propan-2-ylprop-2-en-1-amine
CID 103571031
2-[(1-ethylpyrazol-4-yl)methylidene]-N-propan-2-ylbutan-1-amine
CID 103571010
2-[(1-ethylpyrazol-4-yl)methylidene]-N-methylbutan-1-amine
CID 103571007
4-[(E)-2-(chloromethyl)-3-methylbut-1-enyl]-1-propylpyrazole
CID 103573579
2-[(1-ethylpyrazol-4-yl)methylidene]butan-1-ol
CID 103570991
(E)-2-cyclohexyl-3-(1-ethylpyrazol-4-yl)-N-propan-2-ylprop-2-en-1-amine
CID 103571039
1-(ethylamino)-3-(1-ethylpyrazol-4-yl)propan-2-one
CID 116562677
2-[(1-ethylpyrazol-4-yl)methylidene]butan-1-amine
CID 103571005
(2Z)-N-propan-2-yl-2-[(1-propylpyrazol-4-yl)methylidene]butan-1-amine
CID 103573592
2-methyl-N-propyl-3-(1-propylpyrazol-4-yl)prop-2-en-1-amine
CID 103573610
(Z)-N,3-dimethyl-4-(1-propylpyrazol-4-yl)but-3-en-2-amine
CID 103573881
N-ethyl-3-methyl-2-[(4-methyl-1,3-thiazol-5-yl)methylidene]butan-1-amine
CID 79338795

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(1-ethylpyrazol-4-yl)methylidene]-3-methylbutan-1-amine?
The IUPAC name of N-ethyl-2-[(1-ethylpyrazol-4-yl)methylidene]-3-methylbutan-1-amine (CID 103571015) is N-ethyl-2-[(1-ethylpyrazol-4-yl)methylidene]-3-methylbutan-1-amine.
What is the SMILES notation for N-ethyl-2-[(1-ethylpyrazol-4-yl)methylidene]-3-methylbutan-1-amine?
The canonical SMILES for N-ethyl-2-[(1-ethylpyrazol-4-yl)methylidene]-3-methylbutan-1-amine is CCNCC(=Cc1cnn(CC)c1)C(C)C.
What is the InChIKey of N-ethyl-2-[(1-ethylpyrazol-4-yl)methylidene]-3-methylbutan-1-amine?
The InChIKey is VHCWCUUVPTVDKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-5-14-9-13(11(3)4)7-12-8-15-16(6-2)10-12/h7-8,10-11,14H,5-6,9H2,1-4H3.
What are the key properties of N-ethyl-2-[(1-ethylpyrazol-4-yl)methylidene]-3-methylbutan-1-amine?
N-ethyl-2-[(1-ethylpyrazol-4-yl)methylidene]-3-methylbutan-1-amine has a molecular weight of 221.35 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(1-ethylpyrazol-4-yl)methylidene]-3-methylbutan-1-amine is sourced from PubChem (CID 103571015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).