(Z)-4-(4-methoxy-1-methylpyrazol-5-yl)-N-methylpent-3-en-1-amine

C11H19N3O — CID 114666303

IUPAC(Z)-4-(4-methoxy-1-methylpyrazol-5-yl)-N-methylpent-3-en-1-amine
SMILESCNCC/C=C(/C)c1c(OC)cnn1C
InChIInChI=1S/C11H19N3O/c1-9(6-5-7-12-2)11-10(15-4)8-13-14(11)3/h6,8,12H,5,7H2,1-4H3/b9-6-
InChIKeyDPNBRQPZPMSLAZ-TWGQIWQCSA-N
MW209.29 g/mol
LogP1.44
Rot. Bonds5

About (Z)-4-(4-methoxy-1-methylpyrazol-5-yl)-N-methylpent-3-en-1-amine

(Z)-4-(4-methoxy-1-methylpyrazol-5-yl)-N-methylpent-3-en-1-amine (PubChem CID 114666303) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is (Z)-4-(4-methoxy-1-methylpyrazol-5-yl)-N-methylpent-3-en-1-amine.

Molecular Properties

Compound Name(Z)-4-(4-methoxy-1-methylpyrazol-5-yl)-N-methylpent-3-en-1-amine
PubChem CID114666303
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name(Z)-4-(4-methoxy-1-methylpyrazol-5-yl)-N-methylpent-3-en-1-amine
SMILESCNCC/C=C(/C)c1c(OC)cnn1C
InChIInChI=1S/C11H19N3O/c1-9(6-5-7-12-2)11-10(15-4)8-13-14(11)3/h6,8,12H,5,7H2,1-4H3/b9-6-
InChIKeyDPNBRQPZPMSLAZ-TWGQIWQCSA-N
XLogP1.44
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-ethyl-4-(4-methoxy-1-methylpyrazol-5-yl)pent-3-en-1-amine
CID 114666313
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)-4-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N-propylpent-3-en-1-amine
CID 114666319
N-[4-(4-methoxy-1-propan-2-ylpyrazol-5-yl)pent-3-enyl]cyclopropanamine
CID 104940657
methyl 4-methoxy-1-methylpyrazole-5-carboxylate
CID 106942430
N-[4-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]pent-3-enyl]cyclopropanamine
CID 104940653
(4-methoxy-1-methylpyrazol-5-yl)-[2-[2-(methylamino)ethyl]phenyl]methanone
CID 114671270
4-methoxy-1-methylpyrazole-5-carboxylic acid
CID 46398720
(E)-1-(4-methoxy-1-methylpyrazol-5-yl)pent-2-en-1-one
CID 103454159
2-(butan-2-ylamino)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanone
CID 114668516

Frequently Asked Questions

What is the IUPAC name of (Z)-4-(4-methoxy-1-methylpyrazol-5-yl)-N-methylpent-3-en-1-amine?
The IUPAC name of (Z)-4-(4-methoxy-1-methylpyrazol-5-yl)-N-methylpent-3-en-1-amine (CID 114666303) is (Z)-4-(4-methoxy-1-methylpyrazol-5-yl)-N-methylpent-3-en-1-amine.
What is the SMILES notation for (Z)-4-(4-methoxy-1-methylpyrazol-5-yl)-N-methylpent-3-en-1-amine?
The canonical SMILES for (Z)-4-(4-methoxy-1-methylpyrazol-5-yl)-N-methylpent-3-en-1-amine is CNCC/C=C(/C)c1c(OC)cnn1C.
What is the InChIKey of (Z)-4-(4-methoxy-1-methylpyrazol-5-yl)-N-methylpent-3-en-1-amine?
The InChIKey is DPNBRQPZPMSLAZ-TWGQIWQCSA-N. The full InChI is InChI=1S/C11H19N3O/c1-9(6-5-7-12-2)11-10(15-4)8-13-14(11)3/h6,8,12H,5,7H2,1-4H3/b9-6-.
What are the key properties of (Z)-4-(4-methoxy-1-methylpyrazol-5-yl)-N-methylpent-3-en-1-amine?
(Z)-4-(4-methoxy-1-methylpyrazol-5-yl)-N-methylpent-3-en-1-amine has a molecular weight of 209.29 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(4-methoxy-1-methylpyrazol-5-yl)-N-methylpent-3-en-1-amine is sourced from PubChem (CID 114666303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).