(2Z)-N-propan-2-yl-2-[(1-propylpyrazol-4-yl)methylidene]butan-1-amine

C14H25N3 — CID 103573592

IUPAC(2Z)-N-propan-2-yl-2-[(1-propylpyrazol-4-yl)methylidene]butan-1-amine
SMILESCCCn1cc(/C=C(/CC)CNC(C)C)cn1
InChIInChI=1S/C14H25N3/c1-5-7-17-11-14(10-16-17)8-13(6-2)9-15-12(3)4/h8,10-12,15H,5-7,9H2,1-4H3/b13-8-
InChIKeyVQYUOHPCTZXWAO-JYRVWZFOSA-N
MW235.37 g/mol
LogP3.08
Rot. Bonds7

About (2Z)-N-propan-2-yl-2-[(1-propylpyrazol-4-yl)methylidene]butan-1-amine

(2Z)-N-propan-2-yl-2-[(1-propylpyrazol-4-yl)methylidene]butan-1-amine (PubChem CID 103573592) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is (2Z)-N-propan-2-yl-2-[(1-propylpyrazol-4-yl)methylidene]butan-1-amine.

Molecular Properties

Compound Name(2Z)-N-propan-2-yl-2-[(1-propylpyrazol-4-yl)methylidene]butan-1-amine
PubChem CID103573592
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name(2Z)-N-propan-2-yl-2-[(1-propylpyrazol-4-yl)methylidene]butan-1-amine
SMILESCCCn1cc(/C=C(/CC)CNC(C)C)cn1
InChIInChI=1S/C14H25N3/c1-5-7-17-11-14(10-16-17)8-13(6-2)9-15-12(3)4/h8,10-12,15H,5-7,9H2,1-4H3/b13-8-
InChIKeyVQYUOHPCTZXWAO-JYRVWZFOSA-N
XLogP3.08
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
2-[(1-ethylpyrazol-4-yl)methylidene]-N-methylbutan-1-amine
CID 103571007
(Z)-N,3-dimethyl-4-(1-propylpyrazol-4-yl)but-3-en-2-amine
CID 103573881
4-[(E)-2-(chloromethyl)-3-methylbut-1-enyl]-1-propylpyrazole
CID 103573579
2-methyl-N-propyl-3-(1-propylpyrazol-4-yl)prop-2-en-1-amine
CID 103573610
2-[(1-methylpyrazol-4-yl)methylidene]-N-propylbutan-1-amine
CID 79330103
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
2-[(1-ethylpyrazol-4-yl)methylidene]butan-1-amine
CID 103571005
N-propan-2-yl-4-(1-propylpyrazol-4-yl)pent-3-en-1-amine
CID 79598749

Frequently Asked Questions

What is the IUPAC name of (2Z)-N-propan-2-yl-2-[(1-propylpyrazol-4-yl)methylidene]butan-1-amine?
The IUPAC name of (2Z)-N-propan-2-yl-2-[(1-propylpyrazol-4-yl)methylidene]butan-1-amine (CID 103573592) is (2Z)-N-propan-2-yl-2-[(1-propylpyrazol-4-yl)methylidene]butan-1-amine.
What is the SMILES notation for (2Z)-N-propan-2-yl-2-[(1-propylpyrazol-4-yl)methylidene]butan-1-amine?
The canonical SMILES for (2Z)-N-propan-2-yl-2-[(1-propylpyrazol-4-yl)methylidene]butan-1-amine is CCCn1cc(/C=C(/CC)CNC(C)C)cn1.
What is the InChIKey of (2Z)-N-propan-2-yl-2-[(1-propylpyrazol-4-yl)methylidene]butan-1-amine?
The InChIKey is VQYUOHPCTZXWAO-JYRVWZFOSA-N. The full InChI is InChI=1S/C14H25N3/c1-5-7-17-11-14(10-16-17)8-13(6-2)9-15-12(3)4/h8,10-12,15H,5-7,9H2,1-4H3/b13-8-.
What are the key properties of (2Z)-N-propan-2-yl-2-[(1-propylpyrazol-4-yl)methylidene]butan-1-amine?
(2Z)-N-propan-2-yl-2-[(1-propylpyrazol-4-yl)methylidene]butan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-propan-2-yl-2-[(1-propylpyrazol-4-yl)methylidene]butan-1-amine is sourced from PubChem (CID 103573592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).