N-[[1-(2-methylprop-2-enyl)pyrazol-3-yl]methyl]cyclopropanamine

C11H17N3 — CID 79186563

IUPACN-[[1-(2-methylprop-2-enyl)pyrazol-3-yl]methyl]cyclopropanamine
SMILESC=C(C)Cn1ccc(CNC2CC2)n1
InChIInChI=1S/C11H17N3/c1-9(2)8-14-6-5-11(13-14)7-12-10-3-4-10/h5-6,10,12H,1,3-4,7-8H2,2H3
InChIKeyCWIGORLPNFTHQK-UHFFFAOYSA-N
MW191.28 g/mol
LogP1.71
Rot. Bonds5

About N-[[1-(2-methylprop-2-enyl)pyrazol-3-yl]methyl]cyclopropanamine

N-[[1-(2-methylprop-2-enyl)pyrazol-3-yl]methyl]cyclopropanamine (PubChem CID 79186563) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is N-[[1-(2-methylprop-2-enyl)pyrazol-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(2-methylprop-2-enyl)pyrazol-3-yl]methyl]cyclopropanamine
PubChem CID79186563
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC NameN-[[1-(2-methylprop-2-enyl)pyrazol-3-yl]methyl]cyclopropanamine
SMILESC=C(C)Cn1ccc(CNC2CC2)n1
InChIInChI=1S/C11H17N3/c1-9(2)8-14-6-5-11(13-14)7-12-10-3-4-10/h5-6,10,12H,1,3-4,7-8H2,2H3
InChIKeyCWIGORLPNFTHQK-UHFFFAOYSA-N
XLogP1.71
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 ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methylprop-2-enyl)pyrazol-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(2-methylprop-2-enyl)pyrazol-3-yl]methyl]cyclopropanamine (CID 79186563) is N-[[1-(2-methylprop-2-enyl)pyrazol-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(2-methylprop-2-enyl)pyrazol-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(2-methylprop-2-enyl)pyrazol-3-yl]methyl]cyclopropanamine is C=C(C)Cn1ccc(CNC2CC2)n1.
What is the InChIKey of N-[[1-(2-methylprop-2-enyl)pyrazol-3-yl]methyl]cyclopropanamine?
The InChIKey is CWIGORLPNFTHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-9(2)8-14-6-5-11(13-14)7-12-10-3-4-10/h5-6,10,12H,1,3-4,7-8H2,2H3.
What are the key properties of N-[[1-(2-methylprop-2-enyl)pyrazol-3-yl]methyl]cyclopropanamine?
N-[[1-(2-methylprop-2-enyl)pyrazol-3-yl]methyl]cyclopropanamine has a molecular weight of 191.28 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methylprop-2-enyl)pyrazol-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 79186563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).