2-[(1-ethylpyrazol-4-yl)methylidene]-N-propan-2-ylbutan-1-amine

C13H23N3 — CID 103571010

IUPAC2-[(1-ethylpyrazol-4-yl)methylidene]-N-propan-2-ylbutan-1-amine
SMILESCCC(=Cc1cnn(CC)c1)CNC(C)C
InChIInChI=1S/C13H23N3/c1-5-12(8-14-11(3)4)7-13-9-15-16(6-2)10-13/h7,9-11,14H,5-6,8H2,1-4H3
InChIKeyRMQYCEIMRMHOJR-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.69
Rot. Bonds6

About 2-[(1-ethylpyrazol-4-yl)methylidene]-N-propan-2-ylbutan-1-amine

2-[(1-ethylpyrazol-4-yl)methylidene]-N-propan-2-ylbutan-1-amine (PubChem CID 103571010) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 2-[(1-ethylpyrazol-4-yl)methylidene]-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name2-[(1-ethylpyrazol-4-yl)methylidene]-N-propan-2-ylbutan-1-amine
PubChem CID103571010
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name2-[(1-ethylpyrazol-4-yl)methylidene]-N-propan-2-ylbutan-1-amine
SMILESCCC(=Cc1cnn(CC)c1)CNC(C)C
InChIInChI=1S/C13H23N3/c1-5-12(8-14-11(3)4)7-13-9-15-16(6-2)10-13/h7,9-11,14H,5-6,8H2,1-4H3
InChIKeyRMQYCEIMRMHOJR-UHFFFAOYSA-N
XLogP2.69
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 ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2Z)-N-propan-2-yl-2-[(1-propylpyrazol-4-yl)methylidene]butan-1-amine
CID 103573592
(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-methylbutan-1-amine
CID 103571007
2-[(1-ethylpyrazol-4-yl)methylidene]butan-1-ol
CID 103570991
2-[(1-ethylpyrazol-4-yl)methylidene]butan-1-amine
CID 103571005
(E)-2-cyclohexyl-3-(1-ethylpyrazol-4-yl)-N-propan-2-ylprop-2-en-1-amine
CID 103571039
N-ethyl-2-[(1-ethylpyrazol-4-yl)methylidene]-3-methylbutan-1-amine
CID 103571015
(2Z)-2-[(1-propylpyrazol-4-yl)methylidene]butan-1-ol
CID 103573573
2-[(1-methylpyrazol-4-yl)methylidene]-N-propylbutan-1-amine
CID 79330103
2-[(1-ethylpyrazol-4-yl)methyl]-3-methyl-N-propan-2-ylbutan-1-amine
CID 55082915
2-[(4-methyl-1,3-thiazol-2-yl)methylidene]-N-propan-2-ylbutan-1-amine
CID 104772188
3-(1-ethylpyrazol-4-yl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 62529282

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylpyrazol-4-yl)methylidene]-N-propan-2-ylbutan-1-amine?
The IUPAC name of 2-[(1-ethylpyrazol-4-yl)methylidene]-N-propan-2-ylbutan-1-amine (CID 103571010) is 2-[(1-ethylpyrazol-4-yl)methylidene]-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 2-[(1-ethylpyrazol-4-yl)methylidene]-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 2-[(1-ethylpyrazol-4-yl)methylidene]-N-propan-2-ylbutan-1-amine is CCC(=Cc1cnn(CC)c1)CNC(C)C.
What is the InChIKey of 2-[(1-ethylpyrazol-4-yl)methylidene]-N-propan-2-ylbutan-1-amine?
The InChIKey is RMQYCEIMRMHOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-5-12(8-14-11(3)4)7-13-9-15-16(6-2)10-13/h7,9-11,14H,5-6,8H2,1-4H3.
What are the key properties of 2-[(1-ethylpyrazol-4-yl)methylidene]-N-propan-2-ylbutan-1-amine?
2-[(1-ethylpyrazol-4-yl)methylidene]-N-propan-2-ylbutan-1-amine has a molecular weight of 221.35 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylpyrazol-4-yl)methylidene]-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 103571010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).