(Z)-4-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N-propylpent-3-en-1-amine

C16H30N4O — CID 114666319

IUPAC(Z)-4-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N-propylpent-3-en-1-amine
SMILESCCCNCC/C=C(/C)c1c(OC)cnn1CCN(C)C
InChIInChI=1S/C16H30N4O/c1-6-9-17-10-7-8-14(2)16-15(21-5)13-18-20(16)12-11-19(3)4/h8,13,17H,6-7,9-12H2,1-5H3/b14-8-
InChIKeyNLINJYRSHFLGLW-ZSOIEALJSA-N
MW294.44 g/mol
LogP2.25
Rot. Bonds10

About (Z)-4-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N-propylpent-3-en-1-amine

(Z)-4-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N-propylpent-3-en-1-amine (PubChem CID 114666319) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is (Z)-4-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N-propylpent-3-en-1-amine.

Molecular Properties

Compound Name(Z)-4-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N-propylpent-3-en-1-amine
PubChem CID114666319
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC Name(Z)-4-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N-propylpent-3-en-1-amine
SMILESCCCNCC/C=C(/C)c1c(OC)cnn1CCN(C)C
InChIInChI=1S/C16H30N4O/c1-6-9-17-10-7-8-14(2)16-15(21-5)13-18-20(16)12-11-19(3)4/h8,13,17H,6-7,9-12H2,1-5H3/b14-8-
InChIKeyNLINJYRSHFLGLW-ZSOIEALJSA-N
XLogP2.25
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]pent-3-enyl]cyclopropanamine
CID 104940653
N-ethyl-4-(4-methoxy-1-propylpyrazol-5-yl)pent-3-en-1-amine
CID 104940638
N-(2-methoxyethyl)-4-(4-methoxy-1-propylpyrazol-5-yl)pent-3-en-1-amine
CID 104940688
(Z)-4-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-propylpent-3-en-1-amine
CID 114666323
(Z)-N-ethyl-4-(4-methoxy-1-methylpyrazol-5-yl)pent-3-en-1-amine
CID 114666313
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-(propylamino)ethanol
CID 114665822
3-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-methyl-N-propylbutan-1-amine
CID 114666830
(Z)-4-(4-methoxy-1-methylpyrazol-5-yl)-N-methylpent-3-en-1-amine
CID 114666303
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-methoxyethanone
CID 114639516
1-[2-(dimethylamino)ethyl]-4-methoxypyrazole-5-carbaldehyde
CID 114640202
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-3-(propan-2-ylamino)propan-1-one
CID 114668539
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-3-methoxypropan-1-one
CID 114639473

Frequently Asked Questions

What is the IUPAC name of (Z)-4-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N-propylpent-3-en-1-amine?
The IUPAC name of (Z)-4-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N-propylpent-3-en-1-amine (CID 114666319) is (Z)-4-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N-propylpent-3-en-1-amine.
What is the SMILES notation for (Z)-4-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N-propylpent-3-en-1-amine?
The canonical SMILES for (Z)-4-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N-propylpent-3-en-1-amine is CCCNCC/C=C(/C)c1c(OC)cnn1CCN(C)C.
What is the InChIKey of (Z)-4-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N-propylpent-3-en-1-amine?
The InChIKey is NLINJYRSHFLGLW-ZSOIEALJSA-N. The full InChI is InChI=1S/C16H30N4O/c1-6-9-17-10-7-8-14(2)16-15(21-5)13-18-20(16)12-11-19(3)4/h8,13,17H,6-7,9-12H2,1-5H3/b14-8-.
What are the key properties of (Z)-4-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N-propylpent-3-en-1-amine?
(Z)-4-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N-propylpent-3-en-1-amine has a molecular weight of 294.44 g/mol, XLogP of 2.25, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N-propylpent-3-en-1-amine is sourced from PubChem (CID 114666319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).