N-[4-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]pent-3-enyl]cyclopropanamine

C16H28N4O — CID 104940653

IUPACN-[4-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]pent-3-enyl]cyclopropanamine
SMILESCOc1cnn(CCN(C)C)c1C(C)=CCCNC1CC1
InChIInChI=1S/C16H28N4O/c1-13(6-5-9-17-14-7-8-14)16-15(21-4)12-18-20(16)11-10-19(2)3/h6,12,14,17H,5,7-11H2,1-4H3
InChIKeyIWOLZUOAVCOSLJ-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.00
Rot. Bonds9

About N-[4-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]pent-3-enyl]cyclopropanamine

N-[4-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]pent-3-enyl]cyclopropanamine (PubChem CID 104940653) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is N-[4-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]pent-3-enyl]cyclopropanamine.

Molecular Properties

Compound NameN-[4-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]pent-3-enyl]cyclopropanamine
PubChem CID104940653
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC NameN-[4-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]pent-3-enyl]cyclopropanamine
SMILESCOc1cnn(CCN(C)C)c1C(C)=CCCNC1CC1
InChIInChI=1S/C16H28N4O/c1-13(6-5-9-17-14-7-8-14)16-15(21-4)12-18-20(16)11-10-19(2)3/h6,12,14,17H,5,7-11H2,1-4H3
InChIKeyIWOLZUOAVCOSLJ-UHFFFAOYSA-N
XLogP2.00
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.00
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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Frequently Asked Questions

What is the IUPAC name of N-[4-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]pent-3-enyl]cyclopropanamine?
The IUPAC name of N-[4-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]pent-3-enyl]cyclopropanamine (CID 104940653) is N-[4-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]pent-3-enyl]cyclopropanamine.
What is the SMILES notation for N-[4-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]pent-3-enyl]cyclopropanamine?
The canonical SMILES for N-[4-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]pent-3-enyl]cyclopropanamine is COc1cnn(CCN(C)C)c1C(C)=CCCNC1CC1.
What is the InChIKey of N-[4-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]pent-3-enyl]cyclopropanamine?
The InChIKey is IWOLZUOAVCOSLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-13(6-5-9-17-14-7-8-14)16-15(21-4)12-18-20(16)11-10-19(2)3/h6,12,14,17H,5,7-11H2,1-4H3.
What are the key properties of N-[4-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]pent-3-enyl]cyclopropanamine?
N-[4-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]pent-3-enyl]cyclopropanamine has a molecular weight of 292.43 g/mol, XLogP of 2.00, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]pent-3-enyl]cyclopropanamine is sourced from PubChem (CID 104940653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).