2-[(1-ethylpyrazol-4-yl)methylidene]butan-1-amine

C10H17N3 — CID 103571005

IUPAC2-[(1-ethylpyrazol-4-yl)methylidene]butan-1-amine
SMILESCCC(=Cc1cnn(CC)c1)CN
InChIInChI=1S/C10H17N3/c1-3-9(6-11)5-10-7-12-13(4-2)8-10/h5,7-8H,3-4,6,11H2,1-2H3
InChIKeyHPADLRSITPXPBL-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.66
Rot. Bonds4

About 2-[(1-ethylpyrazol-4-yl)methylidene]butan-1-amine

2-[(1-ethylpyrazol-4-yl)methylidene]butan-1-amine (PubChem CID 103571005) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 2-[(1-ethylpyrazol-4-yl)methylidene]butan-1-amine.

Molecular Properties

Compound Name2-[(1-ethylpyrazol-4-yl)methylidene]butan-1-amine
PubChem CID103571005
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name2-[(1-ethylpyrazol-4-yl)methylidene]butan-1-amine
SMILESCCC(=Cc1cnn(CC)c1)CN
InChIInChI=1S/C10H17N3/c1-3-9(6-11)5-10-7-12-13(4-2)8-10/h5,7-8H,3-4,6,11H2,1-2H3
InChIKeyHPADLRSITPXPBL-UHFFFAOYSA-N
XLogP1.66
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-ethylpyrazol-4-yl)methylidene]butan-1-ol
CID 103570991
2-[(1-ethylpyrazol-4-yl)methylidene]-N-methylbutan-1-amine
CID 103571007
2-[(1-ethylpyrazol-4-yl)methylidene]-N-propan-2-ylbutan-1-amine
CID 103571010
(2Z)-2-[(1-propylpyrazol-4-yl)methylidene]butan-1-ol
CID 103573573
(Z)-3-(1-ethylpyrazol-4-yl)-2-methyl-N-propan-2-ylprop-2-en-1-amine
CID 103571031
(2Z)-N-propan-2-yl-2-[(1-propylpyrazol-4-yl)methylidene]butan-1-amine
CID 103573592
N-ethyl-2-[(1-ethylpyrazol-4-yl)methylidene]-3-methylbutan-1-amine
CID 103571015
ethyl (E)-3-(1-ethylpyrazol-4-yl)prop-2-enoate
CID 118170825
2-amino-1-(1-ethylpyrazol-4-yl)ethanol
CID 55264385
4-(azetidin-3-ylidenemethyl)-1-ethylpyrazole
CID 79879163
2-methyl-3-(1-methylpyrazol-4-yl)prop-2-en-1-amine
CID 79329731
3-(1-ethylpyrazol-4-yl)-2-(1,3-thiazol-2-yl)prop-2-enenitrile
CID 71835537

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylpyrazol-4-yl)methylidene]butan-1-amine?
The IUPAC name of 2-[(1-ethylpyrazol-4-yl)methylidene]butan-1-amine (CID 103571005) is 2-[(1-ethylpyrazol-4-yl)methylidene]butan-1-amine.
What is the SMILES notation for 2-[(1-ethylpyrazol-4-yl)methylidene]butan-1-amine?
The canonical SMILES for 2-[(1-ethylpyrazol-4-yl)methylidene]butan-1-amine is CCC(=Cc1cnn(CC)c1)CN.
What is the InChIKey of 2-[(1-ethylpyrazol-4-yl)methylidene]butan-1-amine?
The InChIKey is HPADLRSITPXPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-3-9(6-11)5-10-7-12-13(4-2)8-10/h5,7-8H,3-4,6,11H2,1-2H3.
What are the key properties of 2-[(1-ethylpyrazol-4-yl)methylidene]butan-1-amine?
2-[(1-ethylpyrazol-4-yl)methylidene]butan-1-amine has a molecular weight of 179.27 g/mol, XLogP of 1.66, 4 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]butan-1-amine is sourced from PubChem (CID 103571005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).