N-[4-(1-methylpyrazol-4-yl)but-3-enyl]cyclopropanamine

C11H17N3 — CID 79590615

IUPACN-[4-(1-methylpyrazol-4-yl)but-3-enyl]cyclopropanamine
SMILESCn1cc(C=CCCNC2CC2)cn1
InChIInChI=1S/C11H17N3/c1-14-9-10(8-13-14)4-2-3-7-12-11-5-6-11/h2,4,8-9,11-12H,3,5-7H2,1H3
InChIKeyCPIGOBSTGXJWBJ-UHFFFAOYSA-N
MW191.28 g/mol
LogP1.58
Rot. Bonds5

About N-[4-(1-methylpyrazol-4-yl)but-3-enyl]cyclopropanamine

N-[4-(1-methylpyrazol-4-yl)but-3-enyl]cyclopropanamine (PubChem CID 79590615) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is N-[4-(1-methylpyrazol-4-yl)but-3-enyl]cyclopropanamine.

Molecular Properties

Compound NameN-[4-(1-methylpyrazol-4-yl)but-3-enyl]cyclopropanamine
PubChem CID79590615
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC NameN-[4-(1-methylpyrazol-4-yl)but-3-enyl]cyclopropanamine
SMILESCn1cc(C=CCCNC2CC2)cn1
InChIInChI=1S/C11H17N3/c1-14-9-10(8-13-14)4-2-3-7-12-11-5-6-11/h2,4,8-9,11-12H,3,5-7H2,1H3
InChIKeyCPIGOBSTGXJWBJ-UHFFFAOYSA-N
XLogP1.58
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-methylpyrazol-4-yl)but-3-enyl]cyclopropanamine?
The IUPAC name of N-[4-(1-methylpyrazol-4-yl)but-3-enyl]cyclopropanamine (CID 79590615) is N-[4-(1-methylpyrazol-4-yl)but-3-enyl]cyclopropanamine.
What is the SMILES notation for N-[4-(1-methylpyrazol-4-yl)but-3-enyl]cyclopropanamine?
The canonical SMILES for N-[4-(1-methylpyrazol-4-yl)but-3-enyl]cyclopropanamine is Cn1cc(C=CCCNC2CC2)cn1.
What is the InChIKey of N-[4-(1-methylpyrazol-4-yl)but-3-enyl]cyclopropanamine?
The InChIKey is CPIGOBSTGXJWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-14-9-10(8-13-14)4-2-3-7-12-11-5-6-11/h2,4,8-9,11-12H,3,5-7H2,1H3.
What are the key properties of N-[4-(1-methylpyrazol-4-yl)but-3-enyl]cyclopropanamine?
N-[4-(1-methylpyrazol-4-yl)but-3-enyl]cyclopropanamine has a molecular weight of 191.28 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-methylpyrazol-4-yl)but-3-enyl]cyclopropanamine is sourced from PubChem (CID 79590615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).