N-[(E)-3-(1,3-dimethylpyrazol-4-yl)prop-2-enyl]cyclopropanamine

C11H17N3 — CID 83094458

IUPACN-[(E)-3-(1,3-dimethylpyrazol-4-yl)prop-2-enyl]cyclopropanamine
SMILESCc1nn(C)cc1/C=C/CNC1CC1
InChIInChI=1S/C11H17N3/c1-9-10(8-14(2)13-9)4-3-7-12-11-5-6-11/h3-4,8,11-12H,5-7H2,1-2H3/b4-3+
InChIKeyRVHMNMDMHTXFNV-ONEGZZNKSA-N
MW191.28 g/mol
LogP1.49
Rot. Bonds4

About N-[(E)-3-(1,3-dimethylpyrazol-4-yl)prop-2-enyl]cyclopropanamine

N-[(E)-3-(1,3-dimethylpyrazol-4-yl)prop-2-enyl]cyclopropanamine (PubChem CID 83094458) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is N-[(E)-3-(1,3-dimethylpyrazol-4-yl)prop-2-enyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(E)-3-(1,3-dimethylpyrazol-4-yl)prop-2-enyl]cyclopropanamine
PubChem CID83094458
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC NameN-[(E)-3-(1,3-dimethylpyrazol-4-yl)prop-2-enyl]cyclopropanamine
SMILESCc1nn(C)cc1/C=C/CNC1CC1
InChIInChI=1S/C11H17N3/c1-9-10(8-14(2)13-9)4-3-7-12-11-5-6-11/h3-4,8,11-12H,5-7H2,1-2H3/b4-3+
InChIKeyRVHMNMDMHTXFNV-ONEGZZNKSA-N
XLogP1.49
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(E)-3-(1,3-dimethylpyrazol-4-yl)prop-2-enyl]cyclopropanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-(1,3-dimethylpyrazol-4-yl)prop-2-enyl]cyclopropanamine?
The IUPAC name of N-[(E)-3-(1,3-dimethylpyrazol-4-yl)prop-2-enyl]cyclopropanamine (CID 83094458) is N-[(E)-3-(1,3-dimethylpyrazol-4-yl)prop-2-enyl]cyclopropanamine.
What is the SMILES notation for N-[(E)-3-(1,3-dimethylpyrazol-4-yl)prop-2-enyl]cyclopropanamine?
The canonical SMILES for N-[(E)-3-(1,3-dimethylpyrazol-4-yl)prop-2-enyl]cyclopropanamine is Cc1nn(C)cc1/C=C/CNC1CC1.
What is the InChIKey of N-[(E)-3-(1,3-dimethylpyrazol-4-yl)prop-2-enyl]cyclopropanamine?
The InChIKey is RVHMNMDMHTXFNV-ONEGZZNKSA-N. The full InChI is InChI=1S/C11H17N3/c1-9-10(8-14(2)13-9)4-3-7-12-11-5-6-11/h3-4,8,11-12H,5-7H2,1-2H3/b4-3+.
What are the key properties of N-[(E)-3-(1,3-dimethylpyrazol-4-yl)prop-2-enyl]cyclopropanamine?
N-[(E)-3-(1,3-dimethylpyrazol-4-yl)prop-2-enyl]cyclopropanamine has a molecular weight of 191.28 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-(1,3-dimethylpyrazol-4-yl)prop-2-enyl]cyclopropanamine is sourced from PubChem (CID 83094458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).