N-[4-(4-methoxy-1-propan-2-ylpyrazol-5-yl)pent-3-enyl]cyclopropanamine

C15H25N3O — CID 104940657

IUPACN-[4-(4-methoxy-1-propan-2-ylpyrazol-5-yl)pent-3-enyl]cyclopropanamine
SMILESCOc1cnn(C(C)C)c1C(C)=CCCNC1CC1
InChIInChI=1S/C15H25N3O/c1-11(2)18-15(14(19-4)10-17-18)12(3)6-5-9-16-13-7-8-13/h6,10-11,13,16H,5,7-9H2,1-4H3
InChIKeyXYONLNCNIVYAGF-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.02
Rot. Bonds7

About N-[4-(4-methoxy-1-propan-2-ylpyrazol-5-yl)pent-3-enyl]cyclopropanamine

N-[4-(4-methoxy-1-propan-2-ylpyrazol-5-yl)pent-3-enyl]cyclopropanamine (PubChem CID 104940657) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[4-(4-methoxy-1-propan-2-ylpyrazol-5-yl)pent-3-enyl]cyclopropanamine.

Molecular Properties

Compound NameN-[4-(4-methoxy-1-propan-2-ylpyrazol-5-yl)pent-3-enyl]cyclopropanamine
PubChem CID104940657
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC NameN-[4-(4-methoxy-1-propan-2-ylpyrazol-5-yl)pent-3-enyl]cyclopropanamine
SMILESCOc1cnn(C(C)C)c1C(C)=CCCNC1CC1
InChIInChI=1S/C15H25N3O/c1-11(2)18-15(14(19-4)10-17-18)12(3)6-5-9-16-13-7-8-13/h6,10-11,13,16H,5,7-9H2,1-4H3
InChIKeyXYONLNCNIVYAGF-UHFFFAOYSA-N
XLogP3.02
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.02
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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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxy-1-propan-2-ylpyrazol-5-yl)pent-3-enyl]cyclopropanamine?
The IUPAC name of N-[4-(4-methoxy-1-propan-2-ylpyrazol-5-yl)pent-3-enyl]cyclopropanamine (CID 104940657) is N-[4-(4-methoxy-1-propan-2-ylpyrazol-5-yl)pent-3-enyl]cyclopropanamine.
What is the SMILES notation for N-[4-(4-methoxy-1-propan-2-ylpyrazol-5-yl)pent-3-enyl]cyclopropanamine?
The canonical SMILES for N-[4-(4-methoxy-1-propan-2-ylpyrazol-5-yl)pent-3-enyl]cyclopropanamine is COc1cnn(C(C)C)c1C(C)=CCCNC1CC1.
What is the InChIKey of N-[4-(4-methoxy-1-propan-2-ylpyrazol-5-yl)pent-3-enyl]cyclopropanamine?
The InChIKey is XYONLNCNIVYAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-11(2)18-15(14(19-4)10-17-18)12(3)6-5-9-16-13-7-8-13/h6,10-11,13,16H,5,7-9H2,1-4H3.
What are the key properties of N-[4-(4-methoxy-1-propan-2-ylpyrazol-5-yl)pent-3-enyl]cyclopropanamine?
N-[4-(4-methoxy-1-propan-2-ylpyrazol-5-yl)pent-3-enyl]cyclopropanamine has a molecular weight of 263.38 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methoxy-1-propan-2-ylpyrazol-5-yl)pent-3-enyl]cyclopropanamine is sourced from PubChem (CID 104940657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).